Methyl N-acetyl-DL-phenylalaninate

HCID 97805CAS 3618-96-0
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(Cc1ccccc1)NC(C)=O
InChIKey
IKGHIFGXPVLPFD-NSHDSACASA-N
Molecular formula
C12H15NO3
Average molar mass
221.25 g/mol

Names & identifiers

Preferred name
Methyl N-acetyl-DL-phenylalaninate
IUPAC
methyl 2-acetamido-3-phenylpropanoate
English name
Ac-Phe-OMe
Molecular formula
C12H15NO3
Molecular weight
221.25

Names & synonyms

Methyl N-acetyl-DL-phenylalaninate62436-70-8N-acetyl-DL-phenylalanine methyl esterQ85F0D40UTDL-N-Acetylphenylalanine methyl esterRac-N-acetylphenylalanine methyl esterPhenylalanine, N-acetyl-, methyl esterRefChem:1089610methyl 2-acetamido-3-phenylpropanoateMethyl 2-(acetylamino)-3-phenylpropanoateAcetyl-L-phenylalanine methyl esterMethyl (+/-)-N-acetylphenylalaninate
Show more names
Ac-Phe-OMeAc-L-Phe-OMeN-AC-Phe-OmeN-Ac-L-Phe-OMeAC-PHENYLALANINE-OMEAC-PHE-OME, 10 mM in DMSOacetylphenylalanine methyl esteracetyl-l-phenylalaninemethylsterMethyl N-acetyl-L-phenylalaninate
UNII-Q85F0D40UTMethyl N-acetyl-L-phenylalaninate, (+/-)-N-acetyl-d,l-phenylalanine methyl ester2-Acetylamino-3-phenyl-propionic acid methyl esterN-Acetylphenylalanine methyl esterN-acetyl-d-phenylalanine methyl ester(S)-N-Acetyl-3-phenylalanine methyl esterMaybridge3_005305

Database identifiers

CAS
3618-96-0、62436-70-8
PubChem CID
97805
ChEMBL
CHEMBL445907
UNII
Q85F0D40UT
Nikkaji
J31.471D

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
16

Experimental & physicochemical properties

LogP0.92

Physicochemical properties

Melting point
88 · 88.0-90.0 °C
Boiling point
391 · 391.0±30.0 °C(Predicted)
Density
1.117 · 1.117
storage temp.
Sealed in dry,Room Temperature
pka
14.74 · 14.74±0.46(Predicted)
form
Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

UsesSubstrate for chymotrypsin.

Suppliers50 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

9 records
New reaction record

Linked notes

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