Completing data — usually done within a minute
Basic information
- CAS
18369-96-5- Standard SMILES
C#CC(C)(N)CC- InChIKey
YGWRQPVJLXLHAC-UHFFFAOYSA-N- Molecular formula
- C6H11N
- Average molar mass
- 97.16 g/mol
Names & identifiers
- Preferred name
- 3-Methylpent-1-yn-3-amine
- IUPAC
- 3-methylpent-1-yn-3-amine
Names & synonyms
3-methylpent-1-yn-3-amineRefChem:504295816-808-918369-96-5MFCD018722263-methylpent-1-yn-3-ylamine1-Pentyn-3-amine, 3-methyl-NSC63048SCHEMBL8061997YGWRQPVJLXLHAC-UHFFFAOYSA-N1-Ethyl-1-methyl-prop-2-ynylamineNSC-63048
Show more names
SBB001893STK6881791-Ethyl-1-methyl-2-propynylamine #AKOS005600961ST059903EN300-172824
Database identifiers
- CAS
18369-96-5- PubChem CID
- 247769
- EC Number
- 816-808-9
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 98
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, 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 CategoriesFlam. Liq. 2 (100%)
Related reactions
5 records
Compound notes
Loading…