3-Amino-2-(3-methylbenzyl)propanoic acid
Basic information
- CAS
910443-77-5- Standard SMILES
Cc1cccc(CC(CN)C(=O)O)c1- InChIKey
NVVUQCOXDWSPAD-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 3-Amino-2-(3-methylbenzyl)propanoic acid
- IUPAC
- 2-(aminomethyl)-3-(3-methylphenyl)propanoic acid
- English name
- 3-amino-2-[(3-methylphenyl)methyl]propanoic acid
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
3-AMINO-2-(3-METHYLBENZYL)PROPANOIC ACID910443-77-52-(aminomethyl)-3-(3-methylphenyl)propanoic acidMFCD07372506SCHEMBL65329233-AMINO-2-[(3-METHYLPHENYL)METHYL]PROPANOIC ACIDDTXSID60640582AKOS009270501AB34750AB34753AB347552-(aminomethyl)-3-(m-tolyl)propanoic acid
Show more names
OTAVA-BB 1048684Benzenepropanoic acid, α-(aminomethyl)-3-methyl-
CS-0459499EN300-149120F801213-AMINO-2-(3-METHYLBENZYL)PROPANOICACIDF779176(R)-2-AMINOMETHYL-3-M-TOLYL-PROPIONIC ACID(S)-2-AMINOMETHYL-3-M-TOLYL-PROPIONIC ACID
Database identifiers
- CAS
910443-77-5- PubChem CID
- 24265083
- DTXSID
DTXSID60640582
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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