CAS 150349-65-8 tert-Butyl 4-(3-aminopropyl)piperidine-1-carboxylate (HCID 22990164)

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Basic information

CAS: 150349-65-8
Standard SMILES: CC(C)(C)OC(=O)N1CCC(CCCN)CC1
InChIKey: QZYIDMYWRACBRQ-UHFFFAOYSA-N
Molecular formula: C13H26N2O2
Average molar mass: 242.36 g/mol
Monoisotopic mass: 242.19942807

Names & identifiers

Preferred name: tert-Butyl 4-(3-aminopropyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(3-aminopropyl)piperidine-1-carboxylate
English name: tert-Butyl 4-(3-aminopropyl)piperidine-1-carboxylate
Molecular formula: C13H26N2O2
Molecular weight: 242.36

Names & synonyms

150349-65-8TERT-BUTYL 4-(3-AMINOPROPYL)PIPERIDINE-1-CARBOXYLATEDTXSID40629390RefChem:383483DTXCID30580143857-154-41-Boc-4-(3-aminopropyl)piperidineMFCD082344971-PIPERIDINECARBOXYLIC ACID, 4-(3-AMINOPROPYL)-, 1,1-DIMETHYLETHYL ESTERorb3177026SCHEMBL2251826tert-Butyl 4-(3-aminopropyl)

Show more names

4-(3-Aminopropyl)piperidine-1-carboxylic acid tert-butyl ester

QZYIDMYWRACBRQ-UHFFFAOYSA-NAGA34965AKOS015950603MB05455AS-31277SY0025814-(3-aminopropyl)piperidine-1-carboxylateDB-013040

Database identifiers

CAS: 150349-65-8
PubChem CID: 22990164
DTXSID: DTXSID40629390
EC Number: 857-154-4

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 240

Physicochemical properties

Boiling point: 332.1 · 332.1±15.0 °C(Predicted)
Density: 0.999 · 0.999±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 10.55 · 10.55±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.