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Basic information
- CAS
74248-48-9- Standard SMILES
C#CCNc1c(C)cccc1C- InChIKey
ISACQIQEYNRYHZ-UHFFFAOYSA-N- Molecular formula
- C11H13N
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.10479942
Names & identifiers
- Preferred name
- 2,6-dimethyl-N-prop-2-ynyl-aniline
- IUPAC
- 2,6-dimethyl-N-prop-2-ynylaniline
- English name
- 2,6-dimethyl-N-prop-2-ynyl-aniline
- Molecular formula
- C11H13N
- Molecular weight
- 159.22762
Names & synonyms
74248-48-92,6-dimethyl-N-prop-2-ynyl-anilineDTXSID50305976RefChem:248521DTXCID702571052,6-dimethyl-N-(prop-2-yn-1-yl)aniline2,6-dimethyl-N-prop-2-ynylanilineNSC172999N-(2-propynyl)-2,6-dimethylbenzenamineSCHEMBL111493932,6-dimethyl-N-propargylaniline2,6-dimethylphenyl propargylamine
Show more names
ISACQIQEYNRYHZ-UHFFFAOYSA-N2,6-Dimethyl-N-propargyl-anilineZCA248482,6-Dimethyl-N-(propargyl)-anilineAKOS011615190NSC-1729992,6-Dimethyl-N-2-propyn-1-ylbenzenamineDS-008674
Database identifiers
- CAS
74248-48-9- PubChem CID
- 299705
- DTXSID
DTXSID50305976- EC Number
- 979-701-7
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
11 records
Compound notes
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