1-Benzyl-3-methylpyrrolidine-3-carbonitrile

HCID 5086449
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Basic information

CAS
114373-05-6
Standard SMILES
CC1(C#N)CCN(Cc2ccccc2)C1
InChIKey
XJOKIRNPOIKWNQ-UHFFFAOYSA-N
Molecular formula
C13H16N2
Average molar mass
200.28 g/mol
Monoisotopic mass
200.13134851

Names & identifiers

Preferred name
1-Benzyl-3-methylpyrrolidine-3-carbonitrile
IUPAC
1-benzyl-3-methylpyrrolidine-3-carbonitrile
English name
1-BENZYL-3-METHYL-PYRROLIDINE-3-CARBONITRILE
Molecular formula
C13H16N2
Molecular weight
200.28

Names & synonyms

1-benzyl-3-methylpyrrolidine-3-carbonitrile114373-05-61-benzyl-3-methyl-pyrrolidine-3-carbonitrileMFCD05662778SCHEMBL2275141DTXSID60408189XJOKIRNPOIKWNQ-UHFFFAOYSA-NAKOS016008494CS-0451592B64020H545893-Methyl-1-(phenylmethyl)-3-pyrrolidinecarbonitrile
Show more names
3-Pyrrolidinecarbonitrile, 3-methyl-1-(phenylmethyl)-

Database identifiers

CAS
114373-05-6
PubChem CID
5086449
DTXSID
DTXSID60408189

Properties

Computed structural properties

XLogP
2
Topological polar surface area
27 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Boiling point
315 ℃ · 315℃
Density
1.07 · 1.07
Flash point
130 ℃ · 130℃
storage temp.
2 · 2-8°C
Risk Statements
36 · 36
Safety Statements
26 · 26

Safety & regulation

Safety data

risk_code
36
safety_code
26

Chemistry & industry

Suppliers4 total

上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]

Related reactions

3 records
New reaction record

Compound notes

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