Basic information
- CAS
1249757-80-9- Standard SMILES
Cc1cc(CCN)c(C)n1C- InChIKey
NHAYESKAGGZSGC-UHFFFAOYSA-N- Molecular formula
- C9H16N2
- Average molar mass
- 152.24 g/mol
Names & identifiers
- Preferred name
- 2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethanamine
- IUPAC
- 2-(1,2,5-trimethylpyrrol-3-yl)ethanamine
- English name
- 2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethanamine
- Molecular formula
- C9H16N2
- Molecular weight
- 152.24
Names & synonyms
2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethanamine1249757-80-92-(1,2,5-trimethylpyrrol-3-yl)ethanamineMFCD16766635AKOS011761137SB62722BS-40344CS-0117646F3128111H-Pyrrole-3-ethanamine, 1,2,5-trimethyl-
Database identifiers
- CAS
1249757-80-9
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 31 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 262.8 · 262.8±35.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- pka
- 10.21 · 10.21±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Hangzhou Huarong Pharm Co., Ltd.571-86758373 +8613588754946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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