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1-Methylhistamine

1-Methylhistamine structure

CAS No:
501-75-7
Formula:
C6H11N3
Chemical Name:
1-Methylhistamine
Synonyms:
1H-Imidazole-4-ethanamine,1-methyl-;Imidazole,4-(2-aminoethyl)-1-methyl-;1-Methyl-1H-imidazole-4-ethanamine;1-Methyl-4-histamine;1-Methylhistamine;1-Methyl-4-(β-aminoethyl)imidazole;N1-Methylhistamine;4-(2-Aminoethyl)-1-methylimidazole;tele-Methylhistamine;N-tele-Methylhistamine;1-Methyl-4-(2-aminoethyl)imidazole;NSC 66736;2-(1-Methyl-1H-imidazol-4-yl)ethanamine;2-(1-Methyl-1H-imidazol-4-yl)ethan-1-amine;2-(1-Methylimidazol-4-yl)ethanamine;2-(1-Methyl-1H-imidazol-4-yl)ethylamine
Categories:
Organic Chemistry > Amides

Description

2-(1-Methyl-1H-imidazol-4-yl)ethan-1-amine is a histamine (Him) metabolite.

Solid

N(tele)-methylhistamine is a primary amino compound that is the N(tele)-methyl derivative of histamine. It has a role as a human metabolite and a mouse metabolite. It is a member of imidazoles and a primary amino compound. It derives from a histamine. It is a conjugate base of a N(tele)-methylhistaminium.

1-Methylhistamine Basic Attributes

Molecular Weight：

125.17

Exact Mass：

125.17

UNII：

KCB81T4EOF

NSC Number：

66736

DSSTox ID：

DTXSID30198207

HScode：

2933290090

Characteristics

PSA：

43.84000

XLogP3：

2.22560

Appearance：

Solid

Density：

1.11g/cm3

Boiling Point：

296.7ºC at 760mmHg

Flash Point：

133.2ºC

Collision Cross Section：

121.3 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|122.56 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]

Safety Information

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P272, P280, P285, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P333+P313, P342+P311, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

MeSH Entry Terms：

1,4-methylhistamine

Computed Properties

Molecular Weight:125.17
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:125.095297364
Monoisotopic Mass:125.095297364
Topological Polar Surface Area:43.8
Heavy Atom Count:9
Complexity:84.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes