Basic information
- CAS
180264-84-0- Standard SMILES
COC(=O)CC(N)c1ccc(Cl)cc1- InChIKey
OWKAREWNOLQNOG-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
Names & identifiers
- Preferred name
- Methyl 3-amino-3-(4-chlorophenyl)-propionate
- IUPAC
- methyl 3-amino-3-(4-chlorophenyl)propanoate
- English name
- Methyl 3-amino-3-(4-chlorophenyl)propanoate
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 213.66078
Names & synonyms
180264-84-0RefChem:815166Methyl 3-amino-3-(4-chlorophenyl)-propionate631-476-3methyl 3-amino-3-(4-chlorophenyl)propanoateMFCD03984496Enamine_005399SCHEMBL391130OWKAREWNOLQNOG-UHFFFAOYSA-NHMS1409F09AKOS000116581AKOS017268986
Show more names
Capivasertib Impurity 105Capivasertib Impurity SM3-4 HClmethyl 3-amino-3-(4-chlorophenyl)propanoate(WX191725)Benzenepropanoic acid, β-amino-4-chloro-, methyl ester
SB79409DB-014832DB-297923methyl3-amino-3-(4-chlorophenyl)propanoateCS-0448588methyl 3-amino-3-(4-chlorophenyl)propionateEN300-34072W15327
Database identifiers
- CAS
180264-84-0- PubChem CID
- 3704340
- EC Number
- 631-476-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 316.9 · 316.9±32.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 7.46 · 7.46±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers16 total
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Related reactions
3 records
Compound notes
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