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Dehydroalanine

Dehydroalanine structure

CAS No:
1948-56-7
Formula:
C3H5NO2
Chemical Name:
Dehydroalanine
Synonyms:
2-Propenoic acid,2-amino-;Acrylic acid,2-amino-;2-Amino-2-propenoic acid;Alanine,dehydro-;Dehydroalanine;Dehydro-L-alanine;α-Aminoacrylic acid;Aminoacrylic acid;α,β-Didehydroalanine;2,3-Didehydroalanine;28453-71-6
Categories:
Chemical Reagents > Organic Reagents

Description

ChEBI: A dehydroamino acid that is alanine which has been dehydrogenated to introduce a double bond between positions 2 and 3.

Solid

2-aminoacrylic acid is a 2,3-dehydroamino acid that is alanine which has been dehydrogenated to introduce a double bond between positions 2 and 3. It has a role as an alkylating agent, a human metabolite and a mouse metabolite. It is an enamine, an alpha,beta-unsaturated monocarboxylic acid, a non-proteinogenic alpha-amino acid and a 2,3-dehydroamino acid. It is a conjugate acid of a 2-aminoacrylate. It is a tautomer of a 2-ammonioprop-2-enoate, a 2-iminopropionic acid and a 2-iminiopropionate.

Dehydroalanine Basic Attributes

Molecular Weight：

87.0773

Exact Mass：

87.08

UNII：

98RA387EKY

DSSTox ID：

DTXSID90173131

HScode：

2922499990

Characteristics

PSA：

63.3

XLogP3：

-2.651

Appearance：

Solid

Density：

1.222g/cm3

Boiling Point：

251.2ºC at 760mmHg

Flash Point：

105.7ºC

Refractive Index：

1.49

Vapor Pressure：

0.00653mmHg at 25°C

Drug Information

MeSH Entry Terms：

alpha,beta-dehydroalanine

Computed Properties

Molecular Weight:87.08
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:87.032028402
Monoisotopic Mass:87.032028402
Topological Polar Surface Area:63.3
Heavy Atom Count:6
Complexity:86.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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dehydroalanine

CAS No.: 1948-56-7

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