Basic information
- CAS
7249-87-8- Standard SMILES
CCCNCCC#N- InChIKey
MZQXEAUWIMFFCG-UHFFFAOYSA-N- Molecular formula
- C6H12N2
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.10004839
Names & identifiers
- Preferred name
- 3-(Propylamino)propanenitrile
- IUPAC
- 3-(propylamino)propanenitrile
- English name
- 3-(PROPYLAMINO)PROPIONITRILE
- Molecular formula
- C6H12N2
- Molecular weight
- 112.17
Names & synonyms
3-(Propylamino)propionitrile3-(Propylamino)propanenitrilePropanenitrile, 3-(propylamino)-AL441KBO6TNSC 41194NSC-41194UNII-AL441KBO6TDTXSID7064605PROPYL(2-CYANOETHYL)AMINEN-(2-CYANOETHYL)-N-PROPYLAMINERefChem:92729DTXCID6047315
Show more names
LABOTEST-BB LTBB0004083-(propylamino)-propanenitril3-(Propylamino)propiononitrile
MZQXEAUWIMFFCG-UHFFFAOYSA-N7249-87-8N-Cyanoethyl-N-propylaminePropionitrile, 3-(propylamino)-MFCD00060314N-(.beta.-Cyanoethyl)propylamine3-(propylamino)-propionitrileN-(beta-Cyanoethyl)propylamine
Database identifiers
- CAS
7249-87-8- PubChem CID
- 81663
- DTXSID
DTXSID7064605- UNII
- AL441KBO6T
- EC Number
- 673-675-8
- Nikkaji
- J144.443C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 79.8
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Boiling point
- 119 · 119-121°C 30mm
- Density
- 0 · 0,86 g/cm3
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 8.62 · 8.62±0.19(Predicted)
- form
- solid
- InChI
- 1S/C6H12N2/c1-2-5-8-6-3-4-7/h8H,2-3,5-6H2,1H3
- InChIKey
- MZQXEAUWIMFFCG-UHFFFAOYSA-N
- FDA UNII
- 441 KBO6T · AL441KBO6T
- EPA Substance Registry System
- 3 · Propanenitrile, 3-(propylamino)- (7249-87-8)
- UNSPSC Code
- 12352001 · 12352001
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
Danger
H227 (50%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (50%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 2734
- risk_code
- 34-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-(propylamino)-: INACTIVE
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
深圳市丽晶生化科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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