Basic information
- CAS
5351-04-2- Standard SMILES
CCN(CC)CCC#N- InChIKey
LFFKXGFSDGRFQA-UHFFFAOYSA-N- Molecular formula
- C7H14N2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.11569846
Names & identifiers
- Preferred name
- N-(2-Cyanoethyl)diethylamine
- IUPAC
- 3-(diethylamino)propanenitrile
- English name
- 3-(Diethylamino)propionitrile
- Molecular formula
- C7H14N2
- Molecular weight
- 126.2
Names & synonyms
3-(Diethylamino)propanenitrile5351-04-2N-(2-Cyanoethyl)diethylamine3-(Diethylamino)propionitrilePropanenitrile, 3-(diethylamino)-Propionitrile, 3-(diethylamino)-3-DiethylaminopropiononitrileAZT87H1OVINSC 95NSC-95NSC-56550IPKHAN 110
Show more names
DIETHYLAMINOPROPIONITRILEDIETHYLAMINO-3-PROPIONITRILE3-(diethylamino)-propanenitrilpropionitrile,3-(diethylamino)-
DTXSID1063807N,N-DIETHYLAMINOPROPIONITRILEEINECS 226-323-9NSC 56550AI3-13185EC 226-323-9RefChem:825290DTXCID8041452
Database identifiers
- CAS
5351-04-2- PubChem CID
- 79306
- DTXSID
DTXSID1063807- UNII
- AZT87H1OVI
- EC Number
- 226-323-9
- Nikkaji
- J134.529J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 96.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -64 °C · -64 °C
- Boiling point
- 197 °C · 197 °C
- Density
- 0.86 · 0.86
- refractive index
- 1.4345 · 1.4345-1.4365
- Flash point
- 79 °C · 79 °C
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 9.16 · 9.16±0.25(Predicted)
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 87 H1OVI · AZT87H1OVI
- EPA Substance Registry System
- 3 · Propanenitrile, 3-(diethylamino)- (5351-04-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
- HS Code
- 29269095 · 29269095
- REACH Registrations
- Active
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 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 111 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3-diethylaminopropiononitrile (EC: 226-323-9)
Hazard Classes and CategoriesAcute Tox. 4 (99.1%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29269095
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 24/25
- Hazard statements
- H319-H302
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-(diethylamino)-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers19 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
湖州澄博生物科技有限公司13626726938
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
嘉兴瑞恒生物科技有限公司0573-0573-82672231 13757365595 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
2 records
Compound notes
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