CAS 501-75-7 1-Methylhistamine (HCID 3614)

Overview

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

Names & identifiers

Preferred name: 1-Methylhistamine
IUPAC: 2-(1-methylimidazol-4-yl)ethanamine
English name: 2-(1-methylimidazol-4-yl)ethanamine
Molecular formula: C6H11N3
Molecular weight: 125.17

Names & synonyms

1-Methylhistamine501-75-7Tele-methylhistamineN1-Methylhistamine2-(1-methylimidazol-4-yl)ethanamine1-Methyl-1H-imidazole-4-ethanamine1H-Imidazole-4-ethanamine, 1-methyl-KCB81T4EOFDTXSID30198207NSC-667361,4-methylhistamineN-tele methylhistamine

Show more names

Ntau-methylhistamineN(T)-methylhistamineN(tele)-methylhistamine1-methyl-4-(2-aminoethyl)imidazole1H-Imidazole-4-ethanamine,1-methyl2-(1-MethyliMidazole-4-yl)ethanaMine

RefChem:891309DTXCID20120698DTXCID501401624-(2-Methylaminoethyl)imidazoleDTXSID00217671Imidazole, 4-(2-(methylamino)ethyl)-N-MethylhistamineY7QR253130

Database identifiers

CAS: 501-75-7
PubChem CID: 3614
DTXSID: DTXSID30198207
ChEMBL: CHEMBL507
ChEBI: CHEBI:29009
UNII: KCB81T4EOF
EC Number: 838-453-9
Nikkaji: J86.801I

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 84.4

Experimental & physicochemical properties

Physical DescriptionSolid

Collision Cross Section · 3 items

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]

121.8 Å² [M+H]+

Physicochemical properties

Boiling point: 296.7 · 296.7±15.0 °C(Predicted)
Density: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
solubility: Soluble in DMSO
form: Liquid
pka: 9.27 · 9.27±0.10(Predicted)
color: Light yellow to yellow
FDA UNII: 81 T4EOF · KCB81T4EOF
Symbol(GHS): 7 · GHS07,GHS08,GHS05
Signal word: Danger
Hazard statements: 317 · H317-H334-H335-H314
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P285-P304+P341-P342+P311-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P333+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS08,GHS05
Hazard statements: H317-H334-H335-H314
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P285-P304+P341-P342+P311-P501

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Tissue LocationsBone Marrow

Cellular LocationsCytoplasm

Metabolite PathwaysHistidine metabolism

Applications

Uses2-(1-methyl-1H-imidazol-4-yl)ethan-1-amine (cas# 501-75-7) is used in high fiber diets, promoting gluconeogenesis and inhibit glycolysis in muscle.