3-(Boc-amino)piperidine (HCID 4233041)

Names & identifiers

Preferred name: 3-(Boc-amino)piperidine
IUPAC: tert-butyl N-piperidin-3-ylcarbamate
English name: 3-N-Boc-aminopiperidine
Molecular formula: C10H20N2O2
Molecular weight: 200.28

Names & synonyms

3-(boc-amino)piperidineRefChem:494340676-009-4172603-05-33-Boc-aminopiperidine3-N-Boc-aminopiperidinetert-butyl piperidin-3-ylcarbamatetert-butyl N-(piperidin-3-yl)carbamateTert-butyl N-(3-piperidyl)carbamate3-N-Boc-amino piperidine3-(N-Boc-amino)piperidinetert-butyl N-piperidin-3-ylcarbamate

Show more names

N-(3-piperidinyL3-N-Boc-aMinopiperidAlogliptin Impurity 523-(Boc-amino)piperidine,97%(+/-)-3-N-BOC-AMINO-PIPERIDINE3-AMINOPIPERIDINE, 3-BOC PROTECTED3-Aminopiperidine,3-BOCprotected97%

piperidin-3-yl-carbamic acid tert-butyl ester3-(tert-butoxycarbonylamino)piperidinetert-butyl n-(3-piperidinyl)carbamateMFCD038399413-(N-Boc-amino) piperidineCARBAMIC ACID, 3-PIPERIDINYL-, 1,1-DIMETHYLETHYL ESTER3-tert-butoxycarbonylaminopiperidineN-3-Piperidinylcarbamic Acid 1,1-Dimethylethyl Ester

Database identifiers

CAS: 172603-05-3
PubChem CID: 4233041
DTXSID: DTXSID50401088
UNII: B29HA4XG3X
EC Number: 676-009-4
Nikkaji: J2.494.121C

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 199

Physicochemical properties

Melting point: 102 · 102-108°C
Boiling point: 304.8 · 304.8±31.0 °C(Predicted)
Density: 1.02 · 1.02±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO, Methanol
form: Crystalline Powder
pka: 12.37 · 12.37±0.20(Predicted)
color: White
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKey: WUOQXNWMYLFAHT-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1CCCNC1
CAS DataBase Reference: 172603 · 172603-05-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H400
Precautionary statements: 261 · P261-P264-P271-P273-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi,N
Risk Statements: 36 · 36/37/38-50/53
Safety Statements: 26 · 26-36/37/39-61-60
RIDADR: 3077 · UN 3077 9 / PGIII
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Eye · Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (79.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 49 reports by companies from 9 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (98%)；STOT SE 3 (98%)；Aquatic Acute 1 (79.6%)

Safety data

wgk: 3
ridadr: UN 3077 9 / PGIII
hs_code: 29333990
risk_code: 36/37/38-50/53
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi,N
safety_code: 26-36/37/39-61-60
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335-H400
Hazard Classifications: Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P273-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesN-3-Piperidinylcarbamic Acid 1,1-Dimethylethyl Ester is used in the synthesis of highly selective spleen tyrosine kinase inhibitors. Also used in the synthesis of a potent NHE1 inhibitor displaying cardioprotective effects.