CAS 75844-69-8 N-(tert-butoxycarbonyl)piperidine (HCID 7010304)

Substructure search Find similar structures

Basic information

CAS: 75844-69-8
Standard SMILES: CC(C)(C)OC(=O)N1CCCCC1
InChIKey: RQCNHUCCQJMSRG-UHFFFAOYSA-N
Molecular formula: C10H19NO2
Average molar mass: 185.26 g/mol
Monoisotopic mass: 185.14157885

Overview

structure in first source

Names & identifiers

Preferred name: N-(tert-butoxycarbonyl)piperidine
IUPAC: tert-butyl piperidine-1-carboxylate
English name: 1-Boc-piperidine
Molecular formula: C10H19NO2
Molecular weight: 185.26

Names & synonyms

BOC-piperidineN-(tert-Butoxycarbonyl)piperidineRefChem:896482n-tert-butoxycarbonyl-piperidine1-Boc-piperidine75844-69-8tert-butyl piperidine-1-carboxylateN-Boc-piperidineMFCD020939351-(tert-butoxycarbonyl)piperidinepiperidine-1-carboxylic acid tert-butyl estertert-butyl piperidinecarboxylate

Show more names

1-Boc-Piperidine,98%tert-Butyl 1-piperidinecarboxylate1-(tert-Butyloxycarbonyl)piperidine1-(tert-Butoxycarbonyl)piperidine >

1-Piperidinecarboxylic acid, 1,1-dimethylethyl esterN-Boc piperidineN-Boc tetrahydropyridineN-Boc-tetrahydropyridineN-Boc-piperidine, 98%SCHEMBL13445tert-butyloxycarbonylpiperidineSCHEMBL188772

Database identifiers

CAS: 75844-69-8
PubChem CID: 7010304
DTXSID: DTXSID30426618
EC Number: 616-270-3

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 178

Physicochemical properties

Boiling point: 130 · 130-140°C 15mm
Density: 0.964 g/mL · 0.964 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.454(lit.)
Flash point: 188 °F · 188 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
pka: -1.28 · -1.28±0.20(Predicted)
color: Clear colorless to pale yellow
BRN: 3604898 · 3604898
CAS DataBase Reference: 75844 · 75844-69-8(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06,GHS09
Signal word: Danger
Hazard statements: 301 · H301-H315-H319-H335-H400-H227
Precautionary statements: 210 e-P280a-P370+P378a-P403+P235-P501a-P261-P273-P301+P310-P305+P351+P338 · P210e-P280a-P370+P378a-P403+P235-P501a-P261-P273-P301+P310-P305+P351+P338
Hazard Codes

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (92.9%)

Safety data

wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29333990
risk_code: 25-36/37/38-50
Signal word: Danger
Symbol(GHS): GHS06,GHS09
hazard_code: T,N,Xi
safety_code: 26-36-45-60-61
hazard_class: IRRITANT, KEEP COLD
packing_group: Ⅲ
Hazard statements: H301-H315-H319-H335-H400-H227
Precautionary statements: P210e-P280a-P370+P378a-P403+P235-P501a-P261-P273-P301+P310-P305+P351+P338