Basic information
- CAS
702-03-4- Standard SMILES
N#CCCNC1CCCCC1- InChIKey
OLUJYRYCQHJDKJ-UHFFFAOYSA-N- Molecular formula
- C9H16N2
- Average molar mass
- 152.24 g/mol
- Monoisotopic mass
- 152.13134852
Names & identifiers
- Preferred name
- 3-Cyclohexylaminopropiononitrile
- IUPAC
- 3-(cyclohexylamino)propanenitrile
- English name
- 3-(Cyclohexylamino)propionitrile
- Molecular formula
- C9H16N2
- Molecular weight
- 152.24
Names & synonyms
3-(cyclohexylamino)propanenitrile702-03-43-CyclohexylaminopropiononitrileEINECS 211-864-5Propanenitrile, 3-(cyclohexylamino)-AI3-33235DTXSID20220465RefChem:500816DTXCID20142956211-864-53-(Cyclohexylamino)propionitrileN-(2-Cyanoethyl)cyclohexylamine
Show more names
LABOTEST-BB LT001348513-CyclohexylaminopropiononitrilN-(2-Cyanoethyl)-N-cyclohexylamine
MFCD00021325orb3030044SCHEMBL3167403SCHEMBL11706594OLUJYRYCQHJDKJ-UHFFFAOYSA-NFr14427SBB017653AKOS005289648
Database identifiers
- CAS
702-03-4- PubChem CID
- 61201
- DTXSID
DTXSID20220465- EC Number
- 211-864-5
- Nikkaji
- J68.529A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 122 °C · 122 °C
- Boiling point
- 122 · 122-124°C 4mm
- Density
- 0 · 0,94 g/cm3
- pka
- 8.67 · 8.67±0.20(Predicted)
- Specific Gravity
- 0.94 · 0.94
- CAS DataBase Reference
- 702 · 702-03-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3276 · 3276
- HazardClass
- IRRITANT, IRRITANT-HARMFUL
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
This chemical does not meet GHS hazard criteria for 71.9% (105 of 146) of all reports.
Danger
H301 (26%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 146 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (26%)
Safety data
- ridadr
- 3276
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT, IRRITANT-HARMFUL
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses3-(Cyclohexylamino)propionitrile can be used to produce hypotensive activity.
Suppliers19 total
河北凡博医药科技有限公司15588346797 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
郑州本和新材料有限公司17703858868 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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