Basic information
- CAS
64562-95-4- Standard SMILES
COC(=O)C(C)NC(=O)OCc1ccccc1- InChIKey
OMDVFTVXPVXANK-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- Methyl 2-{[(benzyloxy)carbonyl]amino}propanoate
- IUPAC
- methyl 2-(phenylmethoxycarbonylamino)propanoate
- English name
- Alanine,N-[(phenylmethoxy)carbonyl]-, methyl ester
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
64562-95-4METHYL 2-{[(BENZYLOXY)CARBONYL]AMINO}PROPANOATE68223-02-9Methyl 2-(((benzyloxy)carbonyl)amino)propanoateMFCD00136584NSC164663methyl N-[(benzyloxy)carbonyl]alaninateSCHEMBL5412160DTXSID20304219Methyl ((benzyloxy)carbonyl)alaninateAKOS008937826NSC-164663
Show more names
Alanine,N-[(phenylmethoxy)carbonyl]-, methyl ester
PD196846ST012420methyl 2-(benzyloxycarbonylamino)propanoateCARBOBENZYLOXY-DL-ALANINE METHYL ESTER(S)-methyl 2-(benzyloxycarbonylamino)propanoatemethyl 2-[(phenylmethoxy)carbonylamino]propanoate
Database identifiers
- CAS
64562-95-4- PubChem CID
- 295486
- DTXSID
DTXSID20304219- Nikkaji
- J1.094.899A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 49 · 49-50 °C
- Boiling point
- 129 · 129-131 °C(Press: 0.2 Torr)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 11 · 11.00±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
四川嘉瑛莱科技有限责任公司9018 15982359653 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
淮北德商生物科技有限公司0561-2337889 13515618601 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
山东滨晨化工有限公司13837799094 18351216136 · [email protected]
四川鸿日医药科技有限公司1898-2685405 18380436509 · [email protected]
Related reactions
1 records
Compound notes
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