Benzyl piperazine-1-carboxylate (HCID 643495)

Names & identifiers

Preferred name: Benzyl piperazine-1-carboxylate
IUPAC: benzyl piperazine-1-carboxylate
English name: BENZYL 1-PIPERAZINECARBOXYLATE
Molecular formula: C12H16N2O2
Molecular weight: 220.27

Names & synonyms

benzyl piperazine-1-carboxylate1-piperazinecarboxylic acid, phenylmethyl esterRefChem:566847629-513-3InChI=1/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H1-Cbz-Piperazine31166-44-6Benzyl 1-Piperazinecarboxylate1-Z-Piperazine1-(Benzyloxycarbonyl)piperazine1-CarbobenzoxypiperazineMFCD00274317

Show more names

Boc-Cys-Boc1-Z-Piperazine 98%1-Cbz-piperazine, 97%1-Cbz-piperazine, 95+%

N-CBZ-PIPERAZINEPiperazine-1-carboxylic Acid Benzyl EsterN-carbobenzoxypiperazine1-Z-Piperazine, 98%4-benzyloxycarbonylpiperazineDTXSID903491971-benzyl 1-piperazine carboxylateEN300-114743

Database identifiers

CAS: 31166-44-6
PubChem CID: 643495
DTXSID: DTXSID90349197
UNII: SMN6QNZ2QB
EC Number: 629-513-3
Nikkaji: J1.003.413B

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 221

Physicochemical properties

Boiling point: 158 · 158-161 °C1.4 mm Hg(lit.)
Density: 1.142 g/mL · 1.142 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.546(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Sparingly), Methanol (Sparingly)
pka: 8.44 · 8.44±0.10(Predicted)
form: Oil
color: Clear Colourless to Pale Yellow
BRN: 179500 · 179500
InChI: InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKey: CTOUWUYDDUSBQE-UHFFFAOYSA-N
SMILES: N1(C(OCC2=CC=CC=C2)=O)CCNCC1
CAS DataBase Reference: 31166 · 31166-44-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 10 · 10-23
HS Code: 29335990 · 29335990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 43 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 CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-23
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29335990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1-Cbz-piperazine is used in the synthesis of serotonin 5-HT6 and dopamine D2 receptor ligands (1,2). It can also be used for the synthesis of a 11-C labelled ligands for imaging vesicular acetylcholine transporter.