Basic information
- CAS
16752-54-8- Standard SMILES
CNC(C)C#N- InChIKey
MTKGPLGETVCLCF-UHFFFAOYSA-N- Molecular formula
- C4H8N2
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.06874826
Names & identifiers
- Preferred name
- 2-(Methylamino)propanenitrile
- IUPAC
- 2-(methylamino)propanenitrile
- English name
- CP 88440
- Molecular formula
- C4H8N2
- Molecular weight
- 84.12
Names & synonyms
2-(Methylamino)propanenitrilePropanenitrile, 2-(methylamino)-2-(Methylamino)propionitrileCP 88440DTXSID40937341RefChem:84770DTXCID80888388Propionitrile, 2-(methylamino)-(7CI,8CI)687-789-016752-54-8MFCD00045617NSC617627
Show more names
2-(Methylamino)propiononitrile
SCHEMBL52949595AYX23FZ2SCHEMBL1294851SCHEMBL3896221Propionitrile, 2-(methylamino)-AKOS009236462NSC-617627DA-19019
Database identifiers
- CAS
16752-54-8- PubChem CID
- 93083
- DTXSID
DTXSID40937341- UNII
- 95AYX23FZ2
- EC Number
- 687-789-0
- Nikkaji
- J27.767C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 68.9
Physicochemical properties
- Boiling point
- 70 · 70-78 °C(Press: 34 Torr)
- Density
- 0.865 · 0.865±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.77 · 4.77±0.10(Predicted)
- EPA Substance Registry System
- 2 · Propanenitrile, 2-(methylamino)- (16752-54-8)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P235-P405-P501
- Toxicity
- 50100 ug/kg · rabbit,LDLo,skin,50100ug/kg (50.1mg/kg),LIVER: OTHER CHANGESBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BLOOD: OTHER CHANGES,National Technical Information Service. Vol. OTS0545552,
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
H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (33.3%)
Safety data
- Toxicity
- rabbit,LDLo,skin,50100ug/kg (50.1mg/kg),LIVER: OTHER CHANGESBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BLOOD: OTHER CHANGES,National Technical Information Service. Vol. OTS0545552,
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- Hazard statements
- H226-H314
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P235-P405-P501
Chemistry & industry
Suppliers9 total
韶远科技（上海）有限公司4000665055 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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