Basic information
- CAS
110955-69-6- Standard SMILES
CNn1cccc1- InChIKey
XDBORIMSNLCXQK-UHFFFAOYSA-N- Molecular formula
- C5H8N2
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.06874826
Names & identifiers
- Preferred name
- N-methyl-1H-pyrrol-1-amine
- IUPAC
- N-methylpyrrol-1-amine
Names & synonyms
N-methyl-1H-pyrrol-1-amine110955-69-6SCHEMBL4312450SCHEMBL4724215XDBORIMSNLCXQK-UHFFFAOYSA-NN-methyl-N-(1H-pyrrol-1-yl)amineAKOS017515426CS-0246754EN300-3428696
Database identifiers
- CAS
110955-69-6- PubChem CID
- 14232103
- EC Number
- 114-116-5
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48
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 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, 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. 3 (100%)
Related reactions
5 records
Compound notes
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