9-(3-chloropropyl)-9H-purin-6-amine

HCID 286591

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Basic information

CAS: 19255-49-3
Standard SMILES: Nc1ncnc2c1ncn2CCCCl
InChIKey: KOHPHILWKWZSJR-UHFFFAOYSA-N
Molecular formula: C8H10ClN5
Average molar mass: 211.65 g/mol
Monoisotopic mass: 211.062473

Names & identifiers

Preferred name: 9-(3-chloropropyl)-9H-purin-6-amine
IUPAC: 9-(3-chloropropyl)purin-6-amine

Names & synonyms

9-(3-chloropropyl)-9h-purin-6-amine19255-49-3DTXSID30301638RefChem:312795DTXCID30252772871-614-19-(3-chloropropyl)purin-6-amineNSC1450779-(3-chloropropyl)adenineSCHEMBL1532103KOHPHILWKWZSJR-UHFFFAOYSA-NUAA25549

Show more names

AKOS022650593NSC-145077NCGC00660380-01CS-0251635EN300-55477G20925

Database identifiers

CAS: 19255-49-3
PubChem CID: 286591
DTXSID: DTXSID30301638
EC Number: 871-614-1

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 69.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 191

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.