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N-Benzoyl-2-methylalanine

N-Benzoyl-2-methylalanine structure

CAS No:
57224-51-8
Formula:
C11H13NO3
Chemical Name:
N-Benzoyl-2-methylalanine
Synonyms:
Alanine,N-benzoyl-2-methyl-;N-Benzoyl-2-methylalanine;NSC 85157;N-Benzoyl-2-aminoisobutyric acid;2-Benzamido-2-methyl-propanoic acid;2-Benzamido-2-methylpropanoic acid;2-Benzoylamino-2-methyl-propionic acid;2-Methyl-2-(phenylformamido)propanoic acid

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N-Benzoyl-2-methylalanine Basic Attributes

Molecular Weight：

207.23 g/mol

Exact Mass：

207.23

NSC Number：

85157

DSSTox ID：

DTXSID80292729

Characteristics

PSA：

66.4 Å²

Melting Point：

168 °C @ Solvent: Ethanol

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:207.23
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:207.08954328
Monoisotopic Mass:207.08954328
Topological Polar Surface Area:66.4
Heavy Atom Count:15
Complexity:255
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-Benzoyl-2-methylalanine

Basic Attributes
Characteristics
Safety Information
Computed Properties

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