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Kynuramine

Kynuramine structure

CAS No:
363-36-0
Formula:
C9H12N2O
Chemical Name:
Kynuramine
Synonyms:
1-Propanone,3-amino-1-(2-aminophenyl)-;Propiophenone,2′,3-diamino-;3-Amino-1-(2-aminophenyl)-1-propanone;Kynurenamide;Kynuramine;Kynurenamine
Categories:
Organic Chemistry > Amides

Description

ChEBI: An aromatic ketone that is aniline substituted at position 2 by a 3-aminopropanoyl group.

Solid

Kynuramine is a member of the class of kynurenamines that is aniline substituted at position 2 by a 3-aminopropanoyl group. It has a role as a metabolite. It is a conjugate base of a kynuramine(1+).|An aromatic ketone containing the aniline structure (ANILINE COMPOUNDS).

Kynuramine Basic Attributes

Molecular Weight：

164.208

Exact Mass：

164.20

UNII：

2WR44BV65E

DSSTox ID：

DTXSID70189836

HScode：

2922399090

Characteristics

PSA：

69.1

XLogP3：

2.08180

Appearance：

Solid

Density：

1.144g/cm3

Melting Point：

175-177 °C

Boiling Point：

336.3ºC at 760mmHg

Flash Point：

157.2ºC

Refractive Index：

1.594

Drug Information

MeSH Entry Terms：

2,3 Diaminopropiophenone

Computed Properties

Molecular Weight:164.20
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:164.094963011
Monoisotopic Mass:164.094963011
Topological Polar Surface Area:69.1
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes