N-(2-Chloroacetyl)-L-phenylalanine

HCID 737070
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Basic information

CAS
721-65-3
Standard SMILES
O=C(CCl)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey
FUHGSOAURCZWCC-VIFPVBQESA-N
Molecular formula
C11H12ClNO3
Average molar mass
241.67 g/mol
Monoisotopic mass
241.0505709

Names & identifiers

Preferred name
N-(2-Chloroacetyl)-L-phenylalanine
IUPAC
(2S)-2-[(2-chloroacetyl)amino]-3-phenylpropanoic acid
English name
N-Chloroacetyl-L-phenylalanine
Molecular formula
C11H12ClNO3
Molecular weight
241.67

Names & synonyms

721-65-3N-(2-CHLOROACETYL)-L-PHENYLALANINERefChem:1091004N-Chloroacetyl-L-phenylalanine(2-Chloroacetyl)-L-phenylalanine(2S)-2-[(2-chloroacetyl)amino]-3-phenylpropanoic acidMFCD00063160ChloracetylphenylalaninSCHEMBL995228FUHGSOAURCZWCC-VIFPVBQESA-NAlanine, N-(chloroacetyl)-3-phenyl-, DL-CS-0362848
Show more names
CLAC-PHE-OHCHLOROAC-PHE-OHN-CHLOROACETYL-L-PHECHLOROACETYL-L-PHENYLALANINEL-Phenylalanine, N-(2-chloroacetyl)-N-(2-Chloroacetyl)-B-phenyl-L-alanineN-chloroacetyl-L-phenylalanine*crystalline
NS00045754G80651F753925(2S)-2-[(2-chloroacetyl)amino]-3-phenyl-propanoic acid

Database identifiers

CAS
721-65-3
PubChem CID
737070
Nikkaji
J231.868G

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
16

Physicochemical properties

Melting point
126 °C · 126 °C
Boiling point
482.2 · 482.2±45.0 °C(Predicted)
Density
1.312 · 1.312±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
pka
3.29 · 3.29±0.10(Predicted)
Appearance
white to yellow solid

Safety & regulation

Safety data

wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Suppliers8 total

安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
广州爱纯医药科技有限公司020-39119399 18927568969 · [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]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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