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|
|
|
|
|
|
Compound Number
|
|
MolPort-000-144-805
|
|
CAS Number
|
|
90604-02-7
|
|
IUPAC
|
|
1-(diphenylmethyl)azetidin-3-ol
|
|
Chemical Data
|
|
SMILES:
|
OC1CN(C1)C(c1ccccc1)c1ccccc1
|
|
InChI Key:
|
MMAJXKGUZYDTHV-UHFFFAOYAW
|
|
Molecular Formula:
|
C16H17NO
|
|
Molecular Weight:
|
239.3123
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-001-770-790
|
|
CAS Number
|
|
40320-60-3
|
|
IUPAC
|
|
1-(diphenylmethyl)azetidin-3-one
|
|
Chemical Data
|
|
SMILES:
|
O=C1CN(C1)C(c1ccccc1)c1ccccc1
|
|
InChI Key:
|
AVUDXLOVIBJFQA-UHFFFAOYAD
|
|
Molecular Formula:
|
C16H15NO
|
|
Molecular Weight:
|
237.2964
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-151-694
|
|
CAS Number
|
|
141699-55-0
|
|
IUPAC
|
|
tert-butyl 3-hydroxyazetidine-1-carboxylate
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)N1CC(O)C1
|
|
InChI Key:
|
XRRXRQJQQKMFBC-UHFFFAOYAR
|
|
Molecular Formula:
|
C8H15NO3
|
|
Molecular Weight:
|
173.2096
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-150-528
|
|
CAS Number
|
|
17557-84-5
|
|
IUPAC
|
|
azetidin-3-one hydrochloride
|
|
Chemical Data
|
|
SMILES:
|
Cl.O=C1CNC1
|
|
InChI Key:
|
RFBXEQYQSIJAJL-UHFFFAOYAW
|
|
Molecular Formula:
|
C3H6ClNO
|
|
Molecular Weight:
|
107.539
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-001-726
|
|
CAS Number
|
|
398489-26-4
|
|
IUPAC
|
|
tert-butyl 3-oxoazetidine-1-carboxylate
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)N1CC(=O)C1
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C8H13NO3
|
|
Molecular Weight:
|
171.1937
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-144-807
|
|
CAS Number
|
|
36476-86-5
|
|
IUPAC
|
|
1-(diphenylmethyl)azetidine-3-carbonitrile
|
|
Chemical Data
|
|
SMILES:
|
N#CC1CN(C1)C(c1ccccc1)c1ccccc1
|
|
InChI Key:
|
IXMOEAHDRKNAAG-UHFFFAOYAS
|
|
Molecular Formula:
|
C17H16N2
|
|
Molecular Weight:
|
248.3223
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-001-769-433
|
|
CAS Number
|
|
40432-52-8
|
|
IUPAC
|
|
1-(diphenylmethyl)azetidin-3-amine
|
|
Chemical Data
|
|
SMILES:
|
NC1CN(C1)C(c1ccccc1)c1ccccc1
|
|
InChI Key:
|
LYTNNHXGUOKXFI-UHFFFAOYAP
|
|
Molecular Formula:
|
C16H18N2
|
|
Molecular Weight:
|
238.3275
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-003-539
|
|
CAS Number
|
|
36476-87-6
|
|
IUPAC
|
|
1-(diphenylmethyl)azetidine-3-carboxylic acid
|
|
Chemical Data
|
|
SMILES:
|
OC(=O)C1CN(C1)C(c1ccccc1)c1ccccc1
|
|
InChI Key:
|
BRSCYENHLCPOAU-UHFFFAOYAJ
|
|
Molecular Formula:
|
C17H17NO2
|
|
Molecular Weight:
|
267.3224
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-001-728
|
|
CAS Number
|
|
142253-55-2
|
|
IUPAC
|
|
1-[(tert-butoxy)carbonyl]azetidine-3-carboxylic acid
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)N1CC(C1)C(O)=O
|
|
InChI Key:
|
NCADHSLPNSTDMJ-UHFFFAOYAO
|
|
Molecular Formula:
|
C9H15NO4
|
|
Molecular Weight:
|
201.2197
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-002-501-246
|
|
CAS Number
|
|
254454-54-1
|
|
IUPAC
|
|
tert-butyl 3-iodoazetidine-1-carboxylate
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)N1CC(I)C1
|
|
InChI Key:
|
XPDIKRMPZNLBAC-UHFFFAOYAA
|
|
Molecular Formula:
|
C8H14INO2
|
|
Molecular Weight:
|
283.1067
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-001-015
|
|
CAS Number
|
|
91188-15-7
|
|
IUPAC
|
|
tert-butyl N-(azetidin-3-ylmethyl)carbamate
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)NCC1CNC1
|
|
InChI Key:
|
MOLUHRBHXXGWDP-UHFFFAOYAQ
|
|
Molecular Formula:
|
C9H18N2O2
|
|
Molecular Weight:
|
186.2514
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-029
|
|
Chemical Data
|
|
SMILES:
|
Cl.CNC1CN(C)C1
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C5H13ClN2
|
|
Molecular Weight:
|
136.623
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-030
|
|
Chemical Data
|
|
SMILES:
|
CN1CC(CNC(=O)OC(C)(C)C)C1
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C10H20N2O2
|
|
Molecular Weight:
|
200.278
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-004-784-855
|
|
CAS Number
|
|
159603-47-1
|
|
IUPAC
|
|
tert-butyl N-[(3-methylazetidin-3-yl)methyl]carbamate
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)NCC1(C)CNC1
|
|
InChI Key:
|
APVXPWQROCCVQJ-UHFFFAOYAW
|
|
Molecular Formula:
|
C10H20N2O2
|
|
Molecular Weight:
|
200.278
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-031
|
|
Chemical Data
|
|
SMILES:
|
CN(CCNC(=O)OC(C)(C)C)C1CNC1
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C11H23N3O2
|
|
Molecular Weight:
|
229.3192
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-032
|
|
Chemical Data
|
|
SMILES:
|
Cl.CC(C)NC1(CNC1)C(N)=O
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C7H16ClN3O
|
|
Molecular Weight:
|
193.674
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-033
|
|
Chemical Data
|
|
SMILES:
|
Cl.CC(C)Cl.NC(=O)C1(N)CNC1
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C7H17Cl2N3O
|
|
Molecular Weight:
|
230.135
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-034
|
|
Chemical Data
|
|
SMILES:
|
Cl.Cl.CN(C)C1(CNC1)C(N)=O
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C6H15Cl2N3O
|
|
Molecular Weight:
|
216.109
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-035
|
|
Chemical Data
|
|
SMILES:
|
O=C1COC1
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C3H4O2
|
|
Molecular Weight:
|
72.0627
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-036
|
|
CAS Number
|
|
7748-36-9
|
|
Chemical Data
|
|
SMILES:
|
OC1COC1
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C3H6O2
|
|
Molecular Weight:
|
74.0785
|
|
|
|