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95-02-3

95-02-3 Structure

95-02-3 Structure
IdentificationBack Directory
[Name]

4-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINE, DIHYDROCHLORIDE
[CAS]

95-02-3
[Synonyms]

Grewe DiaMine
5-Aminomethyl-2-methyl-4-pyrimidineamine
4-amino-2-methylpyrimidine-5-methylamine
2-methyl-4-amino-5-aminomethylpyrimidine
2-Methyl-4-aminopyrimidine-5-methanamine
2-Methyl-5-(aminomethyl)-4-pyrimidinamine
5-PyriMidineMethanaMine,4-aMino-2-Methyl-
5-(Aminomethyl)-4-amino-2-methylpyrimidine
(4-amino-2-methyl-pyrimidin-5-yl)methylamine
5-Pyrimidinemethanamine, 4-amino-2-methyl- (9CI)
4-Amino-5-aminomethyl-2-methylpyrimidine hydrochloride
4-Amino-2-methyl-5-pyrimidinemethanamine,dihydrochlorine
4-AMINO-2-METHYL-5-PYRIMIDINEMETHANAMINE, DIHYDROCHLORIDE
4-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINE, DIHYDROCHLORIDE
[EINECS(EC#)]

202-384-7
[Molecular Formula]

C6H12Cl2N4
[MDL Number]

MFCD00058194
[MOL File]

95-02-3.mol
[Molecular Weight]

211.09
Chemical PropertiesBack Directory
[Appearance]

Off-White Solid
[Melting point ]

270-272°C
[Boiling point ]

121-125 °C
[density ]

1.207
[vapor pressure ]

0.012-0.019Pa at 20-25℃
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly)
[form ]

Solid
[pka]

7.70±0.29(Predicted)
[color ]

Off-White to Beige
[PH]

10.65 at 20℃ and 10g/L
[InChI]

InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)
[InChIKey]

OZOHTVFCSKFMLL-UHFFFAOYSA-N
[SMILES]

C1(C)=NC=C(CN)C(N)=N1
[LogP]

-2.27 at 20℃ and pH7
[Surface tension]

72.77mN/m at 1g/L and 20℃
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Substrate for TenA enzyme in the thiamin salvage pathway
[Definition]

ChEBI: An aminopyrimidine compound having its amino substituent at the 4-position together with methyl and aminomethyl substituents at the 2- and 5-positions respectively.
[Synthesis]

In an autoclave, the mixture of 4-Amino-5-aminomethyl-2-methylpyrimidine (2.0 kg, 15 mol), modified Raney nickel (wet weight 300 g), and saturated methanol solution of ammonia (20 L) was heated to 100 ℃ and stirred for 5 h at this temperature under 4 MPa hydrogen pressure. Then, the mixture was cooled to room temperature and filtered; 4-Amino-5-aminomethyl-2-methyl pyrimidine was obtained as a white solid (2.0 kg, 98%) by concentrating the filtrate[1].
4-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINE, DIHYDROCHLORIDE
[References]

[1] Lei Zhao, Fen-Er Chen, Xiao-Dong Ma. “Development of Two Scalable Syntheses of 4-Amino-5-aminomethyl-2-methylpyrimidine: Key Intermediate for Vitamin B1.” Organic Process Research & Development 16 1 (2011): 57–60.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P280-P305+P351+P338-P310
[REACH Registrations]

Active
[HS Code ]

2933599590
Spectrum DetailBack Directory
[Spectrum Detail]

4-Amino-5-aminomethyl-2-methylpyrimidine(95-02-3)1HNMR
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