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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 81663Generated: November 1, 2026

3-(Propylamino)propanenitrile

LABOTEST-BB LTBB000408 · N-Cyanoethyl-N-propylamine · 3-(PROPYLAMINO)PROPIONITRILE · 3-(Propylamino)propanenitrile · 3-(propylamino)-propanenitril · N-(beta-Cyanoethyl)propylamine · 3-(Propylamino)propiononitrile · Propionitrile, 3-(propylamino)-

https://huagongshe.com/en/chemical/81663

3-(Propylamino)propanenitrile molecular structure

Identifiers & Physical Properties

CAS No.7249-87-8
Molecular formulaC6H12N2
Average molar mass112.17 g/mol
Monoisotopic mass112.10004839 g/mol
SMILESCCCNCCC#N
InChIKeyMZQXEAUWIMFFCG-UHFFFAOYSA-N
PubChem CID81663
EC No.673-675-8
DTXSIDDTXSID7064605

Chemical & Physical Properties

XLogP0.4
Topological polar surface area35.8
Hydrogen bond donors1
Hydrogen bond acceptors2
Rotatable bonds4
Heavy atoms8
Formal charge0
Complexity79.8
SpringerMaterials PropertiesSurface tension
Boiling point119-121°C 30mm
Density0,86 g/cm3
Storage conditions2-8°C(protect from light)
pKa (acidity coefficient)8.62±0.19(Predicted)
Physical statesolid
InChI1S/C6H12N2/c1-2-5-8-6-3-4-7/h8H,2-3,5-6H2,1H3
InChIKeyMZQXEAUWIMFFCG-UHFFFAOYSA-N
FDA UNIIAL441KBO6T
EPA Substance Registry SystemPropanenitrile, 3-(propylamino)- (7249-87-8)
UNSPSC Code12352001
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319-H335
GHS precautionary statementsP261-P305+P351+P338
Hazard symbolsXi
Risk statements (R)34-36/37/38
Safety statements (S)26-36/37/39
UN transport number2734
Water hazard class (WGK)WGK 3
TSCA inventory statusTSCA listed
Hazard classIRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
Storage class11 - Combustible Solids

Safety & Regulations

GHS classificationDangerH227 (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 Classes and CategoriesFlam. Liq. 4 (50%)
Water hazard class (WGK)WGK 3
TSCA inventory statusTSCA listed
UN transport number2734
Risk statements (R)34-36/37/38
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi
Safety statements (S)26-36/37/39
Hazard classIRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
Storage class11 - Combustible Solids
GHS hazard statementsH315-H319-H335
GHS precautionary statementsP261-P305+P351+P338