Tert-butyl 4-(chloromethyl)-4-formylpiperidine-1-carboxylate

HCID 53392200

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Basic information

CAS: 1312131-48-8
Standard SMILES: CC(C)(C)OC(=O)N1CCC(C=O)(CCl)CC1
InChIKey: VPOBZXCLXJPHPH-UHFFFAOYSA-N
Molecular formula: C12H20ClNO3
Average molar mass: 261.74 g/mol

Names & identifiers

Preferred name: Tert-butyl 4-(chloromethyl)-4-formylpiperidine-1-carboxylate
IUPAC: tert-butyl 4-(chloromethyl)-4-formylpiperidine-1-carboxylate
English name: tert-butyl 4-(chloromethyl)-4-formylpiperidine-1-carboxylate
Molecular formula: C12H20ClNO3
Molecular weight: 261.7451

Names & synonyms

1312131-48-8tert-butyl 4-(chloromethyl)-4-formylpiperidine-1-carboxylateRefChem:893841973-612-7tert-butyl4-(chloromethyl)-4-formylpiperidine-1-carboxylateSCHEMBL2442944VPOBZXCLXJPHPH-UHFFFAOYSA-NMCC13148DA-46186CS-0310952EN300-1622053Z1508726746

Show more names

tert-butyl 4-(chloromethyl)-4-formyl-piperidine-1-carboxylate

Database identifiers

CAS: 1312131-48-8
PubChem CID: 53392200
EC Number: 973-612-7
Nikkaji: J2.980.352H

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 291

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+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.