Basic information
- Standard SMILES
CNC(C(=O)O)c1ccc(Cl)cc1- InChIKey
DDSXZUMDYFPVEP-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-(methylamino)acetic acid
- IUPAC
- 2-(4-chlorophenyl)-2-(methylamino)acetic acid
- English name
- 4-Chloro-alpha-(methylamino)benzene acetic acid
- Molecular formula
- C9H10ClNO2
- Molecular weight
- 199.63
Names & synonyms
143209-97-62-(4-chlorophenyl)-2-(methylamino)acetic acid4-Chloro-alpha-(methylamino)benzene acetic acid2-(p-chlorophenyl)sarcosineSCHEMBL7490455DDSXZUMDYFPVEP-UHFFFAOYSA-NMFCD10567220SY4803512-(4-chlorophenyl)-2-(methylamino)aceticacidBenzeneacetic acid, 4-chloro-a-(methylamino)-EN300-149879(4-Chloro-phenyl)-methylamino-acetic acid
Show more names
4-CHLORO-α-(METHYLAMINO)BENZENEACETICACID4-CHLORO-A-METHYLAMINO-BENZENE-ACETIC ACID4-chloro-α-(methylamino)-benzeneacetic acid4-Chloro-A-(Methylamino)-Benzene Aetic AcidBenzeneacetic acid, 4-chloro-α-(methylamino)-
Database identifiers
- CAS
143209-97-6- PubChem CID
- 10856486
- EC Number
- 172-675-0
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 313.8 · 313.8±32.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- pka
- 1.74 · 1.74±0.10(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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