4-Amino-1-N-Cbz-piperidine

HCID 17846640CAS 120278-07-1

Substructure search Find similar structures

Basic information

Standard SMILES: NC1CCN(C(=O)OCc2ccccc2)CC1
InChIKey: YYIQGSYCCNQAGV-UHFFFAOYSA-N
Molecular formula: C13H18N2O2
Average molar mass: 234.29 g/mol
Monoisotopic mass: 234.13682782

Names & identifiers

Preferred name: 4-Amino-1-N-Cbz-piperidine
IUPAC: benzyl 4-aminopiperidine-1-carboxylate
English name: 4-Amino-piperidine-1-carboxylic acid benzyl ester
Molecular formula: C13H18N2O2
Molecular weight: 234.29

Names & synonyms

4-Amino-1-N-Cbz-piperidineRefChem:517491675-875-0120278-07-1benzyl 4-aminopiperidine-1-carboxylate1-n-cbz-4-aminopiperidine1-cbz-4-aminopiperidine4-amino-piperidine-1-carboxylic acid benzyl ester4-amino-1-cbz-piperidineMFCD05863884SCHEMBL6184724-Amino-1-carbobenzoxypiperidine

Show more names

N-CBZ-4-aMinepiperidinN-CBZ-4-aminepiperidine1-N-CBZ-4-AMINO-PIPERIDINE4-Amino-1-Cbz-piperidine - [A12336]

4-amino-1-benzyloxycarbonylpiperidinebenzyl 4-aminopiperidin-1-carboxylatePB23430phenylmethyl 4-amino-1-piperidinecarboxylateEN300-17231131-PIPERIDINECARBOXYLIC ACID, 4-AMINO-, PHENYLMETHYL ESTER4-aminopiperidine-1-carboxylic acid benzyl ester4-Amino-1-Z-piperidine

Database identifiers

CAS: 120278-07-1
PubChem CID: 17846640
DTXSID: DTXSID50591251
EC Number: 675-875-0
Nikkaji: J2.998.046B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 244

Physicochemical properties

Melting point: 68 °C · 68 °C(dec.)
Boiling point: 367.2 · 367.2±42.0 °C(Predicted)
Density: 1.151 · 1.151±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to lump
pka: 10.07 · 10.07±0.20(Predicted)
color: White to Light yellow
Water Solubility: Slightly soluble in water.
InChI: InChI=1S/C13H18N2O2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2
InChIKey: YYIQGSYCCNQAGV-UHFFFAOYSA-N
SMILES: N1(C(OCC2=CC=CC=C2)=O)CCC(N)CC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-37-60
RIDADR: 3259 · UN3259
HazardClass: 8 · 8
HS Code: 29333990 · 29333990
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr: UN3259
hs_code: 29333990
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-37-60
hazard_class: 8
Hazard statements: H315-H319-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a