|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|
|
|
|
|
|
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
|
|
|
|