Tert-butyl 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylate

HCID 68857055
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Basic information

CAS
946517-85-7
Standard SMILES
CC1(CCCN)CCN(C(=O)OC(C)(C)C)CC1
InChIKey
RORXMFNDHUAQSA-UHFFFAOYSA-N
Molecular formula
C14H28N2O2
Average molar mass
256.38 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylate
IUPAC
tert-butyl 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylate

Names & synonyms

946517-85-7tert-butyl 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylateSCHEMBL3964472RORXMFNDHUAQSA-UHFFFAOYSA-N4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid tert-butyl ester

Database identifiers

CAS
946517-85-7
PubChem CID
68857055
EC Number
113-184-3

Properties

Computed structural propertiesFilling in

XLogP
2
Topological polar surface area
55.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
18

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Related reactions

2 records
New reaction record

Compound notes

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