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Basic Information
CAS No.: 673-46-1
Name: N,N-Dimethylhistamine
Molecular Structure:
Molecular Structure of 673-46-1 (N,N-Dimethylhistamine)
Formula: C7H13N3
Molecular Weight: 139.2
Synonyms: 1H-Imidazole-4-ethanamine,N,N-dimethyl- (9CI);Imidazole, 4(or 5)-(2-dimethylaminoethyl)- (6CI);Imidazole, 4(or 5)-[2-(dimethylamino)ethyl]- (6CI,7CI);Imidazole,4-[2-(dimethylamino)ethyl]- (8CI);4-(2-Dimethylaminoethyl)imidazole;4-[2-(N,N-Dimethylamino)ethyl]imidazole;1H-Imidazole-5-ethanamine,N,N-dimethyl-;Na,Na-Dimethylhistamine;Nw,Nw-Dimethylhistamine;N',N'-Dimethylhistamine;
Density: 1.038 g/cm3
Boiling Point: 296 °C at 760 mmHg
Flash Point: 132.8 °C
PSA: 31.92000
LogP: 0.51380
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Chemistry

Molecule structure of N,N-Dimethylhistamine (CAS NO.673-46-1):

IUPAC Name: 2-(1H-Imidazol-5-yl)-N,N-dimethylethanamine 
Molecular Weight: 139.19822 g/mol
Molecular Formula: C7H13N3 
Density: 1.038 g/cm3
Boiling Point: 296 °C at 760 mmHg 
Flash Point: 132.8 °C
Index of Refraction: 1.528
Molar Refractivity: 41.31 cm3
Molar Volume: 134 cm3
Surface Tension: 42.7 dyne/cm  
Enthalpy of Vaporization: 53.58 kJ/mol
Vapour Pressure: 0.00147 mmHg at 25 °C
XLogP3: 0.3
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 139.110947
MonoIsotopic Mass: 139.110947
Topological Polar Surface Area: 31.9
Heavy Atom Count: 10
Canonical SMILES: CN(C)CCC1=CN=CN1
InChI: InChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKey: ZJDIMSMQXMWMCF-UHFFFAOYSA-N
Classification Code of N,N-Dimethylhistamine (CAS NO.673-46-1): Drug / Therapeutic Agent; Mutation data

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 15mg/kg (15mg/kg) CARDIAC: OTHER CHANGES

VASCULAR: MEASUREMENT OF REGIONAL BLOOD FLOW		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 87, Pg. 33, 1951.
 

Specification

 N,N-Dimethylhistamine (CAS NO.673-46-1) is also named as 4-(2-Dimethylaminoethyl)imidazole ; N(sup alpha),N(sup alpha)-Dimethylhistamine ; SU-416 ; Imidazole, 4-(2-(dimethylamino)ethyl)- .