Basic information
- CAS
940000-26-0- Standard SMILES
CC(C)(C)OC(=O)N1CCCC[C@@H]1C#N- InChIKey
LKAJZBMOVZIKHA-SECBINFHSA-N- Molecular formula
- C11H18N2O2
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.13682782
Names & identifiers
- Preferred name
- tert-butyl (2R)-2-cyanopiperidine-1-carboxylate
- IUPAC
- tert-butyl (2R)-2-cyanopiperidine-1-carboxylate
- English name
- (R)-1-N-BOC-2-CYANO-PIPERIDINE
- Molecular formula
- C11H18N2O2
- Molecular weight
- 210.27
Names & synonyms
tert-butyl (2R)-2-cyanopiperidine-1-carboxylateRefChem:891629963-242-4940000-26-0(R)-1-boc-2-Cyanopiperidine(R)-1-N-Boc-2-cyano-piperidineMFCD05864606(r)-tert-butyl 2-cyanopiperidine-1-carboxylate(R)-1-Boc-piperidine-2-carbonitrile(R)-1-N-Boc-2-cyanopiperdinetert-butyl (R)-2-cyanopiperidine-1-carboxylateSCHEMBL82202
Show more names
(R)-N-Boc-2-cyanopiperidine1-N-BOC-2-(R)-CYANO-PIPERIDINE(2R)-2-Cyano-1-piperidinecarboxylic acid tert-butyl ester(R)-2-CYANO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
DTXSID50427127LKAJZBMOVZIKHA-SECBINFHSA-NQMB000261-piperidinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester, (2r)-AKOS007930629AC-9197DS-13465SY097397
Database identifiers
- CAS
940000-26-0- PubChem CID
- 7019482
- DTXSID
DTXSID50427127- EC Number
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Density
- 1.07 · 1.07
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- optical activity
- Consistent with structure
- CAS DataBase Reference
- 940000 · 940000-26-0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3439 · 3439
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 3439
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers27 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
Related reactions
2 records
Compound notes
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