s-Triazine, 2,4-diamino-6-isopropyl-, monohydrochloride

HCID 148341

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Basic information

CAS: 40373-29-3
Standard SMILES: CC(C)c1nc(N)nc(N)n1.Cl
InChIKey: KGBPEZHVXRUQAE-UHFFFAOYSA-N
Molecular formula: C6H12ClN5
Average molar mass: 189.65 g/mol
Monoisotopic mass: 189.0781231

Names & identifiers

Preferred name: s-Triazine, 2,4-diamino-6-isopropyl-, monohydrochloride
IUPAC: 6-propan-2-yl-1,3,5-triazine-2,4-diamine;hydrochloride

Names & synonyms

s-Triazine, 2,4-diamino-6-isopropyl-, monohydrochloride40373-29-3ENT-604332,4-Diamino-6-isopropyl-s-triazine monohydrochlorideAI3-604331,3,5-Triazine-2,4-diamine, 6-(1-methylethyl)-, monohydrochlorideDTXSID901933596-(Propan-2-yl)-1,3,5-triazine-2,4-diamine--hydrogen chloride (1/1)

Database identifiers

CAS: 40373-29-3
PubChem CID: 148341
DTXSID: DTXSID90193359

Properties

Computed structural properties

Topological polar surface area: 90.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 116

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