Basic information
- CAS
84145-73-3- Standard SMILES
CC1CN(CCC#N)CC(C)O1- InChIKey
BEJUPEKPJOPODY-UHFFFAOYSA-N- Molecular formula
- C9H16N2O
- Average molar mass
- 168.24 g/mol
- Monoisotopic mass
- 168.12626314
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4-morpholinepropiononitrile
- IUPAC
- 3-(2,6-dimethylmorpholin-4-yl)propanenitrile
- English name
- 2,6-dimethyl-4-morpholinepropiononitrile
- Molecular formula
- C9H16N2O
- Molecular weight
- 168.24
Names & synonyms
2,6-Dimethyl-4-morpholinepropiononitrileEINECS 282-302-4NSC 163169RefChem:445685282-302-43-(2,6-dimethylmorpholin-4-yl)propanenitrile84145-73-34-Morpholinepropanenitrile,2,6-dimethyl-4-morpholinepropanenitrile, 2,6-dimethyl-MFCD00023386NSC1631692,6-DIMETHYL-4-MORPHOLINEPROPIONITRILE
Show more names
3-(2,6-dimethyl-4-morpholinyl)propanenitrile
SCHEMBL9432796BEJUPEKPJOPODY-UHFFFAOYSA-NDTXSID501004416ALBB-015034AKOS000206425AKOS016346865NSC-163169LS-04770
Database identifiers
- CAS
84145-73-3- PubChem CID
- 98746
- DTXSID
DTXSID501004416- EC Number
- 282-302-4
- Nikkaji
- J24.524K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H319-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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