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1. Seperator tert-butyl 3-aminoazetidine-1-carboxylate, CAS 193269-78-2
Molecule
Compound Number
MolPort-000-000-466
CAS Number
193269-78-2
IUPAC
tert-butyl 3-aminoazetidine-1-carboxylate
Chemical Data
SMILES: CC(C)(C)OC(=O)N1CC(N)C1
InChI Key: n/a
Molecular Formula: C8H16N2O2
Molecular Weight: 172.2248
 
2. Seperator methyl 4-amino-3-bromobenzoate, CAS 106896-49-5
Molecule
Compound Number
MolPort-000-000-445
CAS Number
106896-49-5
IUPAC
methyl 4-amino-3-bromobenzoate
Chemical Data
SMILES: COC(=O)c1ccc(N)c(Br)c1
InChI Key: AIUWAOALZYWQBX-UHFFFAOYAP
Molecular Formula: C8H8BrNO2
Molecular Weight: 230.059
 
3. Seperator 1-(4-amino-3-bromophenyl)ethan-1-one
Molecule
Compound Number
MolPort-000-000-447
IUPAC
1-(4-amino-3-bromophenyl)ethan-1-one
Chemical Data
SMILES: CC(=O)c1ccc(N)c(Br)c1
InChI Key: ASMVJBACZFHISI-UHFFFAOYAH
Molecular Formula: C8H8BrNO
Molecular Weight: 214.059
 
4. Seperator 1-(4-amino-3-chlorophenyl)ethan-1-one
Molecule
Compound Number
MolPort-000-000-450
IUPAC
1-(4-amino-3-chlorophenyl)ethan-1-one
Chemical Data
SMILES: CC(=O)c1ccc(N)c(Cl)c1
InChI Key: VGVXDPRCTIRHOO-UHFFFAOYAC
Molecular Formula: C8H8ClNO
Molecular Weight: 169.608
 
5. Seperator methyl 2-amino-5-chlorobenzoate, CAS 5202-89-1
Molecule
Compound Number
MolPort-000-000-452
CAS Number
5202-89-1
IUPAC
methyl 2-amino-5-chlorobenzoate
Chemical Data
SMILES: COC(=O)c1cc(Cl)ccc1N
InChI Key: IGHVUURTQGBABT-UHFFFAOYAW
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.608
 
6. Seperator 2-amino-2-(4-chlorophenyl)acetic acid, CAS 6212-33-5
Molecule
Compound Number
MolPort-000-000-455
CAS Number
6212-33-5
IUPAC
2-amino-2-(4-chlorophenyl)acetic acid
Chemical Data
SMILES: NC(C(O)=O)c1ccc(Cl)cc1
InChI Key: QGJGBYXRJVIYGA-UHFFFAOYAB
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.608
 
7. Seperator 2-amino-2-(3-chlorophenyl)acetic acid
Molecule
Compound Number
MolPort-000-000-456
IUPAC
2-amino-2-(3-chlorophenyl)acetic acid
Chemical Data
SMILES: NC(C(O)=O)c1cccc(Cl)c1
InChI Key: n/a
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.608
 
8. Seperator 2-amino-2-(4-fluorophenyl)acetic acid, CAS 7292-73-1
Molecule
Compound Number
MolPort-000-000-418
CAS Number
7292-73-1
IUPAC
2-amino-2-(4-fluorophenyl)acetic acid
Chemical Data
SMILES: NC(C(O)=O)c1ccc(F)cc1
InChI Key: JKFYKCYQEWQPTM-UHFFFAOYAN
Molecular Formula: C8H8FNO2
Molecular Weight: 169.153
 
9. Seperator 2-amino-2-(3-nitrophenyl)acetic acid
Molecule
Compound Number
MolPort-000-000-420
IUPAC
2-amino-2-(3-nitrophenyl)acetic acid
Chemical Data
SMILES: NC(C(O)=O)c1cccc(c1)[N+]([O-])=O
InChI Key: RJMYTHGQVJWWJO-UHFFFAOYAS
Molecular Formula: C8H8N2O4
Molecular Weight: 196.1601
 
10. Seperator 2-amino-2-(3-fluorophenyl)acetic acid, CAS 7292-74-2
Molecule
Compound Number
MolPort-000-000-421
CAS Number
7292-74-2
IUPAC
2-amino-2-(3-fluorophenyl)acetic acid
Chemical Data
SMILES: NC(C(O)=O)c1cccc(F)c1
InChI Key: LVYBCZIDQKJNFP-UHFFFAOYAI
Molecular Formula: C8H8FNO2
Molecular Weight: 169.153
 
11. Seperator 2-amino-2-(2-chlorophenyl)acetic acid, CAS 88744-36-9
Molecule
Compound Number
MolPort-000-000-423
CAS Number
88744-36-9
IUPAC
2-amino-2-(2-chlorophenyl)acetic acid
Chemical Data
SMILES: NC(C(O)=O)c1ccccc1Cl
InChI Key: LMIZLNPFTRQPSF-UHFFFAOYAJ
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.608
 
12. Seperator 2-amino-2-(2-fluorophenyl)acetic acid, CAS 84145-28-8
Molecule
Compound Number
MolPort-000-000-424
CAS Number
84145-28-8
IUPAC
2-amino-2-(2-fluorophenyl)acetic acid
Chemical Data
SMILES: NC(C(O)=O)c1ccccc1F
InChI Key: CGNMJIBUVDGMIY-UHFFFAOYAY
Molecular Formula: C8H8FNO2
Molecular Weight: 169.153
 
13. Seperator 2-amino-2-(cyclohex-3-en-1-yl)acetic acid
Molecule
Compound Number
MolPort-000-000-427
IUPAC
2-amino-2-(cyclohex-3-en-1-yl)acetic acid
Chemical Data
SMILES: NC(C1CCC=CC1)C(O)=O |c:5|
InChI Key: PWXCLVASQNMYJV-UHFFFAOYAU
Molecular Formula: C8H13NO2
Molecular Weight: 155.1943
 
14. Seperator 2-amino-2-cyclohexylacetic acid, CAS 14328-52-0
Molecule
Compound Number
MolPort-000-000-428
CAS Number
14328-52-0
IUPAC
2-amino-2-cyclohexylacetic acid
Chemical Data
SMILES: NC(C1CCCCC1)C(O)=O
InChI Key: WAMWSIDTKSNDCU-UHFFFAOYAB
Molecular Formula: C8H15NO2
Molecular Weight: 157.2102
 
15. Seperator 2-amino-2-(4-nitrophenyl)acetic acid
Molecule
Compound Number
MolPort-000-000-417
IUPAC
2-amino-2-(4-nitrophenyl)acetic acid
Chemical Data
SMILES: NC(C(O)=O)c1ccc(cc1)[N+]([O-])=O
InChI Key: XCVDAQWKJUCVHJ-UHFFFAOYAO
Molecular Formula: C8H8N2O4
Molecular Weight: 196.1601
 
16. Seperator 2-amino-2-(3-methylpyridin-4-yl)acetic acid, CAS 500755-89-5
Molecule
Compound Number
MolPort-000-000-401
CAS Number
500755-89-5
IUPAC
2-amino-2-(3-methylpyridin-4-yl)acetic acid
Chemical Data
SMILES: Cc1cnccc1C(N)C(O)=O
InChI Key: n/a
Molecular Formula: C8H10N2O2
Molecular Weight: 166.1772
 
17. Seperator 2-(6-methylpyridin-2-yl)ethan-1-amine, CAS 19363-94-1
Molecule
Compound Number
MolPort-000-000-368
CAS Number
19363-94-1
IUPAC
2-(6-methylpyridin-2-yl)ethan-1-amine
Chemical Data
SMILES: Cc1cccc(CCN)n1
InChI Key: CDTHKXWPZVCHBX-UHFFFAOYAR
Molecular Formula: C8H12N2
Molecular Weight: 136.1943
 
18. Seperator (2-aminocycloheptyl)methanol
Molecule
Compound Number
MolPort-000-000-373
IUPAC
(2-aminocycloheptyl)methanol
Chemical Data
SMILES: NC1CCCCCC1CO
InChI Key: VMTDISKAQUTKLX-UHFFFAOYAT
Molecular Formula: C8H17NO
Molecular Weight: 143.2267
 
19. Seperator di-tert-butyldiazene
Molecule
Compound Number
MolPort-000-000-359
IUPAC
di-tert-butyldiazene
Chemical Data
SMILES: CC(C)(C)N=NC(C)(C)C
InChI Key: GKCPCPKXFGQXGS-UHFFFAOYAI
Molecular Formula: C8H18N2
Molecular Weight: 142.2419
 
20. Seperator (3-chloro-4-methoxyphenyl)methanaminium chloride
Molecule
Compound Number
MolPort-000-000-343
IUPAC
(3-chloro-4-methoxyphenyl)methanaminium chloride
Chemical Data
SMILES: [Cl-].COc1ccc(C[NH3+])cc1Cl
InChI Key: IKWWOZCEHOYKAO-UHFFFAOYAH
Molecular Formula: C8H11Cl2NO
Molecular Weight: 208.085
 
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