Basic information
- CAS
141380-31-6- Standard SMILES
N#CC1C2CCC1CN(Cc1ccccc1)C2- InChIKey
GTIQIRBEEJPFTL-UHFFFAOYSA-N- Molecular formula
- C15H18N2
- Average molar mass
- 226.32 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-3-aza-bicyclo[3.2.1]octane-8-carbonitrile
- IUPAC
- 3-benzyl-3-azabicyclo[3.2.1]octane-8-carbonitrile
- English name
- N-benzyl-3-azabicyclooctane-8-carbonitrile
- Molecular formula
- C15H18N2
- Molecular weight
- 226.32
Names & synonyms
141380-31-63-Benzyl-3-aza-bicyclo[3.2.1]octane-8-carbonitrile3-Benzyl-3-azabicyclo[3.2.1]octane-8-carbonitrileMFCD284049133-Azabicyclo[3.2.1]octane-8-carbonitrile, 3-(phenylmethyl)-(1R,5S,8r)-3-benzyl-3-azabicyclo[3.2.1]octane-8-carbonitrileSCHEMBL7327738AKOS027251870AS-70845SY126688CS-0038473F470419
Show more names
N-benzyl-3-azabicyclooctane-8-carbonitrile
N-benzyl-3-azabicyclo<3.2.1>octane-8-carbonitrile3-BENZYL-3-AZA-BICYCLO[3.2.1]OCTANE-8-CARBONITRILE(WXC06988)
Database identifiers
- CAS
141380-31-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 364.2 · 364.2±35.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 7.43 · 7.43±0.40(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers15 total
中山市科信生物技术有限公司0760-+86-0760-88665202 13824707890 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
南京菲泓科技有限公司025-58855213 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
河北迪远医药技术有限公司13803176464 · [email protected]
贵州省瀑植缘生物科技有限公司13985734807 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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