Basic information
- CAS
3348-73-0- Standard SMILES
OC[C@H]1CCN2CCC[C@H]12- InChIKey
LOFDEIYZIAVXHE-HTQZYQBOSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Overview
1H-Pyrrolizine-1-methanol, hexahydro-, (1S-cis)- has been reported in Planchonella thyrsoidea, Planchonella anteridifera, and Heliotropium indicum with data available.
Names & identifiers
- Preferred name
- (+)-Trachelanthamidine
- IUPAC
- [(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
- English name
- (1S-cis)-Hexahydro-1H-pyrrolizine-1-methanol
- Molecular formula
- C8H15NO
- Molecular weight
- 141.21
Names & synonyms
Laburnine3348-73-0(+)-TrachelanthamidineUJ1D9E8IRVRefChem:905486(+)-Laburnine1H-Pyrrolizine-1-methanol, hexahydro-, (1S-cis)-(1S-cis)-Hexahydro-1H-pyrrolizine-1-methanol[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol((1S,7aR)-hexahydro-1H-pyrrolizin-1-yl)methanol[(1S,7aR)-hexahydro-1H-pyrrolizin-1-yl]methanolUNII-UJ1D9E8IRV
Show more names
(7aβ)-Hexahydro-1H-pyrrolizine-1β-methanol(1S,7aR)-Hexahydro-1H-pyrrolizine-1-methanol1H-Pyrrolizine-1-methanol, hexahydro-, (1S,7aR)-
orb1991697SCHEMBL29366521DTXSID60187124TRACHELANTHAMIDINE, (+)-AKOS040735062FS-6708NS00094746T125026
Database identifiers
- CAS
3348-73-0- PubChem CID
- 94259
- DTXSID
DTXSID60187124
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 114 · 114-115 °C(Press: 3 Torr)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 14.89 · 14.89±0.10(Predicted)
- FDA UNII
- 1 D9E8IRV · UJ1D9E8IRV
Chemistry & industry
Suppliers4 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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