N-Chloroacetyl-dl-isoleucine structure

N-Chloroacetyl-dl-isoleucine

2-[(2-chloroacetyl)amino]-3-methylpentanoic acid

Also Known As: N-Chloroacetyl-dl-isoleucine|Chloroacetyl-dl-isoleucine|Chloroac-Ile-OH|N-(Chloroacetyl)isoleucine|N-(Chloroacetyl)isoleucine #|N-(Chloroacetyl)-L-isoleucine|2-[(2-chloroacetyl)amino]-3-methylpentanoic acid|c0100|HY-W142143|2-(2-chloroacetamido)-3-methylpentanoic acid|Chloroacetyl-DL-isoleucine (ClAc-DL-xiIle-OH)|2,4-BIS(BENZYLOXY)PYRIMIDINE-5-BORONIC ACID|2-[(2-chloroacetyl)amino]-3-methyl-pentanoic acid|(2S,3S)-2-[(2-chloroacetyl)amino]-3-methylpentanoic acid|Isoleucine,N-(chloroacetyl)-, (2R,3R)-rel- (9CI)|I14-105943

CAS: 67253-30-9
Molecular Formula C8H14ClNO3
Molecular Weight 207.06622 g/mol
LogP 0.8
Topological Polar Surface Area 66.4 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 5
Exact Mass 207.06622
Monoisotopic Mass 207.06622
Heavy Atoms 13
Complexity 196.0

Chemical Identifiers

CAS Number 67253-30-9
SMILES CCC(C)C(C(=O)O)NC(=O)CCl
InChIKey HEZNGQNQHGVQLO-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (1 patents)

Product Overview

N-Chloroacetyl-dl-isoleucine (CAS 67253-30-9), with molecular formula C8H14ClNO3 and molecular weight 207.06622 g/mol. IUPAC: 2-[(2-chloroacetyl)amino]-3-methylpentanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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