Basic information
- CAS
4895-98-1- Standard SMILES
CC(N)(C(=O)O)c1ccc(Cl)cc1- InChIKey
FQTSAWDHVYIQAC-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
- Monoisotopic mass
- 199.0400063
Names & identifiers
- Preferred name
- 2-amino-2-(4-chlorophenyl)propanoic Acid
- IUPAC
- 2-amino-2-(4-chlorophenyl)propanoic acid
- English name
- 2-amino-2-(4-chlorophenyl)propanoic acid
- Molecular formula
- C9H10ClNO2
- Molecular weight
- 199.63
Names & synonyms
2-amino-2-(4-chlorophenyl)propanoic Acid4895-98-1MFCD026625996303-34-0SCHEMBL3619037DTXSID40397264FQTSAWDHVYIQAC-UHFFFAOYSA-NEAA89598NSC41966NSC-41966AKOS000189628AKOS016338806
Show more names
Benzeneacetic acid, α-amino-4-chloro-α-methyl-Benzeneacetic acid, α-amino-4-chloro-α-methyl-
2-amino-2-(4-chlorophenyl)propanoicAcidAS-44050ST45243895EN300-43471F815442(RS)-2-amino-2-(4-chloro-phenyl)-propionic acidZ317024852
Database identifiers
- CAS
4895-98-1、6303-34-0- PubChem CID
- 3847762
- DTXSID
DTXSID40397264- EC Number
- 172-322-0
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 260 °C · 260 °C
- Boiling point
- 331.4 · 331.4±32.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- 1.86 · 1.86±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
北京依凯诺医药技术开发有限公司18518619637 · [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]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Related reactions
1 records
Compound notes
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