1-BOC-3-Aminopiperidine

HCID 545809CAS 144243-24-3

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)OC(=O)N1CCCC(N)C1
InChIKey: AKQXKEBCONUWCL-UHFFFAOYSA-N
Molecular formula: C10H20N2O2
Average molar mass: 200.28 g/mol
Monoisotopic mass: 200.15247789

Names & identifiers

Preferred name: 1-BOC-3-Aminopiperidine
IUPAC: tert-butyl 3-aminopiperidine-1-carboxylate
English name: 1-Boc-3-aminopiperidine
Molecular formula: C10H20N2O2
Molecular weight: 200.28

Names & synonyms

1-Boc-3-aminopiperidinetert-butyl 3-aminopiperidine-1-carboxylate144243-24-3RefChem:430075672-225-8696-144-2184637-48-7N-BOC-3-Aminopiperidine(S)-1-Boc-3-aminopiperidine3-Amino-1-N-Boc-piperidine3-Amino-1-Boc-piperidineMFCD01861219

Show more names

3-AMINO-1-TERTBUTOXYCARBONYL-PIPERIDINE1-PIPERIDINECARBOXYLIC ACID, 3-AMINO-, 1,1-DIMETHYLETHYL ESTERRelebactam impurity 43N-1-BOC-3-AMINOPIPERIDINE1-N-BOC-3-AMINOPIPERIDINEDL-3-AMINO-1-N-BOC-PIPERIDINE(+/-)-1-BOC-3-AMINO-PIPERIDINE

(+/-)-3-Amino-1-N-Boc-piperidine3-Amino-piperidine-1-carboxylic acid tert-butyl ester(R)-(-)-3-Amino-1-Boc-piperidine3-Amino-1-piperidinecarboxylic Acid tert-Butyl Ester3-Aminopiperidine-1-carboxylic acid tert-butyl ester3-Amino-1-tert-butoxycarbonylpiperidine1-Boc-3-Aminopiperidine citric acid salt3-amino-Boc-piperidine

Database identifiers

CAS: 144243-24-3、184637-48-7
PubChem CID: 545809
ChEMBL: CHEMBL4536965
EC Number: 672-225-8、696-144-2
Nikkaji: J527.167C

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 211

Physicochemical properties

form: Liquid
color: Colorless to yellow
CAS DataBase Reference: 144243 · 144243-24-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315-H302
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
HS Code: 29333990 · 29333990

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

This chemical does not meet GHS hazard criteria for 9.1% (1 of 11) of reports.

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (18.2%)；Acute Tox. 4 (18.2%)；Skin Corr. 1B (27.3%)；Skin Irrit. 2 (63.6%)；Eye Irrit. 2 (72.7%)；Acute Tox. 4 (18.2%)；STOT SE 3 (72.7%)

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 29333990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315-H302
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501