2-Cyanopiperidine

HCID 155138
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Basic information

CAS
42457-10-3
Standard SMILES
N#CC1CCCCN1
InChIKey
YAVXLTMRALFZIS-UHFFFAOYSA-N
Molecular formula
C6H10N2
Average molar mass
110.16 g/mol
Monoisotopic mass
110.08439832

Names & identifiers

Preferred name
2-Cyanopiperidine
IUPAC
piperidine-2-carbonitrile
English name
(S) 2-Cyanopiperidine
Molecular formula
C6H10N2
Molecular weight
110.16

Names & synonyms

2-cyanopiperidine42457-10-3DTXSID60276446RefChem:259711DTXCID20227732807-607-7Piperidine-2-carbonitrile(S) 2-Cyanopiperidine2-Cyanopiperidine-13CMFCD032652542-piperidinecarbonitrile1391052-06-4
Show more names
PIPERIDINE CARBONITRILEPipecolonitrile2-Cyanopiperidine oxalate (2:1)2-Cyano-piperidine hydrochloride2-Piperidinecarbonitrile hydrochloride(S)-N-TERT-BUTOXYCARBONYL-2-CYNOPIPERIDINE
pipecolinonitrileSCHEMBL4859322-cyanopiperidine, AldrichCPRSCHEMBL2036195SCHEMBL2040803SCHEMBL4824916AKOS001297611AKOS016346727

Database identifiers

CAS
42457-10-3
PubChem CID
155138
DTXSID
DTXSID60276446
EC Number
807-607-7
Nikkaji
J1.351.680D

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
35.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Boiling point
90 · 90-92 °C(Press: 12 Torr)
Density
0.98 · 0.98±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
solubility
Dichloromethane
form
Oil
pka
6.65 · 6.65±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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. 3 (50%)

Safety data

hs_code
2933399990
risk_code
36/37/38-41
Signal word
Danger
Symbol(GHS)
GHS05,GHS06
hazard_code
Xi
safety_code
26-36-39

Chemistry & industry

Applications

Uses2-Cyanopiperidine (cas# 42457-10-3) is a compound useful in organic synthesis.

Upstream & downstream products

Suppliers47 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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