Basic information
- CAS
778571-53-2- Standard SMILES
N[C@H](CC(=O)O)c1ccc(Cl)cc1Cl- InChIKey
QGHQDRDWQIHGKZ-MRVPVSSYSA-N- Molecular formula
- C9H9Cl2NO2
- Average molar mass
- 234.08 g/mol
- Monoisotopic mass
- 233.0010339
Names & identifiers
- Preferred name
- (R)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid
- IUPAC
- (3R)-3-amino-3-(2,4-dichlorophenyl)propanoic acid
- English name
- (R)-3-Amino-3-(2,4-dichloro-phenyl)-propionic acid
- Molecular formula
- C9H9Cl2NO2
- Molecular weight
- 234.08
Names & synonyms
778571-53-2(R)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid(R)-3-Amino-3-(2,4-dichloro-phenyl)-propionic acid(3R)-3-amino-3-(2,4-dichlorophenyl)propanoic acidMFCD04113640R-3-Amino-3-(2,4-dichlorophenyl)propionic acid(R)-3-Amino-3-(2,4-dichlorophenyl)propanoicacidSCHEMBL5721001DTXSID00351660H-D-beta-Phe(2,4-DiCl)-OHH-D-|A-Phe(2,4-DiCl)-OHH-(R)-beta-Phe(2,4-diCl)-OH
Show more names
R-2,4-CL2-PHAH-D-β-Phe(2,4-DiCl)-OHH-D-b-Phe(2,4-DiCl)-OH2,4-Dichloro-L-β-homophenylglycineD-3-Amino-3-(2,4-dichlorophenyl)propanoic acidBenzenepropanoic acid, β-amino-2,4-dichloro-, (βR)-
AKOS010394309AC-25377PS-12496SY255965CS-0157097N12321(R)-3-Amino-3-(2,4-dichlorophenyl)-propionic acidL-beta-Homo-beta-(2,4-dichlorophenyl)glycine;(R)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 371.14 · 371.140±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 3.574 · 3.574±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-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
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers37 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
深圳虹彩祥根生物科技有限公司+86-0755-89668383 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
深圳乾延药物研发科技有限公司0755-28682735 13538090636 · [email protected]
上海吉尔多肽有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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