Basic information
- CAS
161609-84-3- Standard SMILES
N#CC1CCN(C(=O)OCc2ccccc2)CC1- InChIKey
UGKXZMBTBFELAS-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117775
Names & identifiers
- Preferred name
- Benzyl 4-cyanopiperidine-1-carboxylate
- IUPAC
- benzyl 4-cyanopiperidine-1-carboxylate
- English name
- 1-N-Cbz-4-cyanopiperidine
- Molecular formula
- C14H16N2O2
- Molecular weight
- 244.29
Names & synonyms
161609-84-3BENZYL 4-CYANOPIPERIDINE-1-CARBOXYLATEDTXSID90936566RefChem:566684DTXCID901365171675-955-51-n-cbz-4-cyanopiperidine1-cbz-4-cyanopiperidine1-N-Cbz-4-cyano-piperidine1-piperidinecarboxylic acid, 4-cyano-, phenylmethyl esterMFCD041153404-cyano-piperidine-1-carboxylic acid benzyl ester
Show more names
BUTTPARK 93\50-50N-CBZ-4-cyanopiperidine1-N-Cbz-4-cycano-piperidine4-Cyanopiperidine, N-CBZ protected
1-Z-4-CYANOPIPERIDINESCHEMBL1290635UGKXZMBTBFELAS-UHFFFAOYSA-N1-n-cbz-piperidine-4-carbonitrile1-benzyloxycarbonyl-4-cyanopiperidineSBB066874AKOS015836785benzyl-4-cyanopiperidine-1-carboxylate
Database identifiers
- CAS
161609-84-3- PubChem CID
- 22028286
- DTXSID
DTXSID90936566- EC Number
- 675-955-5
- Nikkaji
- J2.724.073I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 416.5 · 416.5±45.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -3.13 · -3.13±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280
- HS Code
- 29333990 · 29333990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 29333990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers62 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]
Related reactions
15 records
Compound notes
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