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Acetylhistamine

Acetylhistamine structure

CAS No:
673-49-4
Formula:
C7H11N3O
Chemical Name:
Acetylhistamine
Synonyms:
Acetamide,N-[2-(1H-imidazol-5-yl)ethyl]-;Acetamide,N-(2-imidazol-4-ylethyl)-;Acetamide,N-[2-(1H-imidazol-4-yl)ethyl]-;Acetamide,N-[2-imidazol-4(or 5)-ylethyl]-;N-[2-(1H-Imidazol-5-yl)ethyl]acetamide;Acetylhistamine;N-Acetylhistamine;N′-Acetylhistamine;NSC 66356;N-Omega-acetylhistamine;6964-06-3
Categories:
Organic Chemistry > Amides

Description

N-acetylhistamine is a histamine metabolite. N-acetylhistamine can be used as a potential biomarker of histidine metabolism for anaphylactoid reactions.

Solid

N-acetylhistamine is a member of the class of acetamides that is acetamide comprising histamine having an acetyl group attached to the side-chain amino function. It has a role as a human metabolite. It is a member of acetamides and a member of imidazoles. It derives from a histamine.

Acetylhistamine Basic Attributes

Molecular Weight：

153.18200

Exact Mass：

153.18

EC Number：

211-610-3

UNII：

E65S46EBQ6

NSC Number：

66356

DSSTox ID：

DTXSID40217670

HScode：

2933290090

Characteristics

PSA：

57.78000

XLogP3：

0.47920

Appearance：

Solid

Density：

1.153g/cm3

Melting Point：

143 °C

Boiling Point：

501.7ºC at 760 mmHg

Flash Point：

257.2ºC

Refractive Index：

1.533

Water Solubility：

>23 [ug/mL]

Storage Conditions：

0-6ºC

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S24/25

Drug Information

MeSH Entry Terms：

N-acetylhistamine

Computed Properties

Molecular Weight:153.18
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:153.090211983
Monoisotopic Mass:153.090211983
Topological Polar Surface Area:57.8
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes