6-chloro-N4-methylpyrimidine-4,5-diamine

HCID 308477

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Basic information

CAS: 52602-68-3
Standard SMILES: CNc1ncnc(Cl)c1N
InChIKey: RIYBSFHJIOZYLD-UHFFFAOYSA-N
Molecular formula: C5H7ClN4
Average molar mass: 158.59 g/mol
Monoisotopic mass: 158.0359239

Names & identifiers

Preferred name: 6-chloro-N4-methylpyrimidine-4,5-diamine
IUPAC: 6-chloro-4-N-methylpyrimidine-4,5-diamine
English name: 6-chloro-N-methyl-pyrimidine-4,5-diamine
Molecular formula: C5H7ClN4
Molecular weight: 158.59

Names & synonyms

6-Chloro-N4-Methylpyrimidine-4,5-DiamineRefChem:541911843-957-752602-68-36-Chloro-N4-methyl-4,5-pyrimidinediamineMFCD073641746-chloro-4-N-methylpyrimidine-4,5-diamine4-(Methylamino)-5-amino-6-chloropyrimidine6-CHLORO-N-METHYL-PYRIMIDINE-4,5-DIAMINE6-Chloro-N4-methyl-pyrimidine-4,5-diamine4,5-Pyrimidinediamine, 6-chloro-N4-methyl-NSC210278

Show more names

6-Chloro-4-methyl-4,5-diaminopyrimidine5-Amino-6-chloro-4-(methylamino)pyrimidine4-Chloro-5-amino-6-(methylamino)pyrimidine6-chloro-N4-methylpyrimidine-4,5-diamine - [C86892]6-chloro-4-Methyl-4,5-dihydropyriMidine-4,5-diaMine

6-Chloro-N4-methyl-pyriSCHEMBL766829DTXSID90308860RIYBSFHJIOZYLD-UHFFFAOYSA-NALBB-031117SBB040183AKOS000268558NC44314

Database identifiers

CAS: 52602-68-3
PubChem CID: 308477
DTXSID: DTXSID90308860
EC Number: 843-957-7

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 63.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 62 ℃ · 62℃
Density: 1.447 · 1.447
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H312-H318-H332-H302-H315
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H312-H318-H332-H302-H315
Precautionary statements: P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362