Basic information
- Name:
1,3,5-Triazine-2,4-diamine,6-methyl-
- Superlist Name:
- 6-Methyl-1,3,5-triazine-2,4-diamine
- CAS No.:
542-02-9
- Molecular Structure:
- Formula:
- C4H7N5
- Molecular Weight:
- 125.13
- Synonyms:
- s-Triazine,2,4-diamino-6-methyl- (6CI,8CI);2,4-Diamino-6-methyl-1,3,5-triazine;2,4-Diamino-6-methyl-s-triazine;2,6-Diamino-4-methyl-s-triazine;2-Methyl-4,6-diamino-s-triazine;6-Methylguanamine;Acetoguanamine;ENT 50715;NSC 257;
- EINECS:
- 208-796-3
- Density:
- 1.391 g/cm3
- Melting Point:
- 274-276 °C(lit.)
- Boiling Point:
- 443 °C at 760 mmHg
- Flash Point:
- 252 °C
- Appearance:
- white solid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Chemistry
IUPAC Name: 6-Methyl-1,3,5-triazine-2,4-diamine
Synonyms of 1,3,5-Triazine-2,4-diamine,6-methyl- (CAS NO.542-02-9): 6-Methyl-1,3,5-triazine-2,4-diamine ; 2,4-Diamino-6-methyl-1,3,5-triazine ; 2,4-Diamino-6-methyl-s-triazine ; Acetoguanamine ; s-Triazine, 2,4-diamino-6-methyl- (8CI)
CAS NO: 542-02-9
Molecular Formula: C4H7N5
Molecular Weight: 125.13
Molecular Structure: 
H bond acceptors: 5
H bond donors: 4
Freely Rotating Bonds: 0
Polar Surface Area: 45.15 Å2
Index of Refraction: 1.675
Molar Refractivity: 33.82 cm3
Molar Volume: 89.9 cm3
Surface Tension: 92.6 dyne/cm
Density: 1.391 g/cm3
Flash Point: 252 °C
Enthalpy of Vaporization: 70.06 kJ/mol
Boiling Point: 443 °C at 760 mmHg
Vapour Pressure: 4.79E-08 mmHg at 25°C
Melting point: 274-276 ºC
Stability: Stable. Incompatible with oxidizing agents, acids.
Appearance: 1,3,5-Triazine-2,4-diamine,6-methyl- (CAS NO.542-02-9) is white solid.
SMILES: n1c(nc(nc1C)N)N
InChI: InChI=1/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)
InChIKey: NJYZCEFQAIUHSD-UHFFFAOYAD
Std. InChI: InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)
Std. InChIKey: NJYZCEFQAIUHSD-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: 1,3,5-Triazine-2,4-diamine,6-methyl- (CAS NO.542-02-9) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 2
