4-(3-Chloro-2-hydroxy-propylamino)-benzoic acid
Basic information
- CAS
39083-58-4- Standard SMILES
O=C(O)c1ccc(NCC(O)CCl)cc1- InChIKey
KWNZZVPNMSOJGU-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO3
- Average molar mass
- 229.66 g/mol
- Monoisotopic mass
- 229.0505709
Names & identifiers
- Preferred name
- 4-(3-Chloro-2-hydroxy-propylamino)-benzoic acid
- IUPAC
- 4-[(3-chloro-2-hydroxypropyl)amino]benzoic acid
- English name
- 4-(3-Chloro-2-hydroxy-propylamino)-benzoic acid
- Molecular formula
- C10H12ClNO3
- Molecular weight
- 229.66
Names & synonyms
39083-58-44-(3-Chloro-2-hydroxy-propylamino)-benzoic acid4-[(3-chloro-2-hydroxypropyl)amino]benzoic acid4-((3-Chloro-2-hydroxypropyl)amino)benzoic acidDTXSID30389153SBB011606AKOS000301100AKOS024303922DB-049371ST502194834-((3-Chloro-2-hydroxypropyl)amino)benzoicacidSR-01000312854
Show more names
TIMTEC-BB SBB011606Benzoic acid, 4-[(3-chloro-2-hydroxypropyl)amino]-
SR-01000312854-1
Database identifiers
- CAS
39083-58-4- PubChem CID
- 3095178
- DTXSID
DTXSID30389153
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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