Basic information
- CAS
1954-41-2- Standard SMILES
NC(Cc1cnc2ccccc2c1)C(=O)O- InChIKey
KWWSORXERGAEGJ-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 2-Amino-3-(quinolin-3-yl)propanoic acid
- IUPAC
- 2-amino-3-quinolin-3-ylpropanoic acid
- English name
- 3-Quinolinepropanoic acid, α-amino-
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
26988-99-82-amino-3-(quinolin-3-yl)propanoic acidMFCD186995383-(3-Quinolyl)-DL-alanineMLS0007381093-(3-Quinolyl)-DL-Ala-OH2-amino-3-(3-quinolyl)propanoic acid1954-41-2NSC35805SCHEMBL287095SCHEMBL31614353KWWSORXERGAEGJ-UHFFFAOYSA-N
Show more names
3-Quinolinepropanoic acid, α-amino-
NSC-358052-amino-3-(quinolin-3-yl)propanoicacidSMR000393873SY395017EN300-295649
Database identifiers
- CAS
1954-41-2- PubChem CID
- 234935
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 421.6 · 421.6±35.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- 1.95 · 1.95±0.10(Predicted)
Chemistry & industry
Suppliers9 total
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
上海英奇曼化学科技有限公司18299177127 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
GL Biochem (Shanghai) Ltd.+86-021-61263370 +86-18901917034
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
康化（上海）新药研发有限公司021-61263370 18516560301 · [email protected]
上海吉奉生物科技有限公司021-61263377 15023907684 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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