-
Name
5-aminomethyl-2-methylpyrimidin-4-ylamine dihydrochloride
- EINECS 212-862-7
- CAS No. 874-43-1
- Article Data3
- CAS DataBase
- Density
- Solubility
- Melting Point 270-272°C
- Formula C6H12Cl2N4
- Boiling Point 301.6 °C at 760 mmHg
- Molecular Weight 211.094
- Flash Point 161.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 5-Pyrimidinemethanamine,4-amino-2-methyl-, dihydrochloride (9CI);Pyrimidine, 4-amino-5-(aminomethyl)-2-methyl-,dihydrochloride (8CI);5-(aminomethyl)-2-methylpyrimidin-4-amine dihydrochloride;
- PSA 77.82000
- LogP 2.71140
5-Pyrimidinemethanamine,4-amino-2-methyl-, hydrochloride (1:2) Specification
The 5-Pyrimidinemethanamine,4-amino-2-methyl-, hydrochloride (1:2), with the CAS registry number 874-43-1 and EINECS registry number 212-862-7, has the systematic name of 5-(aminomethyl)-2-methylpyrimidin-4-amine dihydrochloride. And the molecular formula of this chemical is C6H12Cl2N4. In addition, it is used as a substrate for tena enzyme in the thiamin salvage pathway.
The physical properties of 5-Pyrimidinemethanamine,4-amino-2-methyl-, hydrochloride (1:2) are as following: (1)ACD/LogP: -1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -1.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.16; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.26 Å2; (13)Flash Point: 161.5 °C; (14)Enthalpy of Vaporization: 54.18 kJ/mol; (15)Boiling Point: 301.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.n1c(N)c(cnc1C)CN
(2)InChI: InChI=1/C6H10N4.2ClH/c1-4-9-3-5(2-7)6(8)10-4;;/h3H,2,7H2,1H3,(H2,8,9,10);2*1H
(3)InChIKey: FRWHCPFBMJIPLY-UHFFFAOYAE
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