Basic information
- CAS
33226-57-2- Standard SMILES
OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1- InChIKey
YSEXVIPNIGQQMN-UHFFFAOYSA-N- Molecular formula
- C18H19NO
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.14666423
Names & identifiers
- Preferred name
- 3-Hydroxy-4-benzyl-4-azahexacyclo(5.4.1.0(2,6).0(3,10).0(5,9).0(8,11))dodecane
- IUPAC
- 5-benzyl-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol
- English name
- NGP 1-01
- Molecular formula
- C18H19NO
- Molecular weight
- 0
Names & synonyms
3-hydroxy-4-benzyl-4-azahexacyclo(5.4.1.0(2,6).0(3,10).0(5,9).0(8,11))dodecaneRefChem:911371CHEMBL11892345-benzyl-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-olCHEMBL5383004-Benzyl-4-azahexacyclo(5.4.1.0(sup 2,6).0(sup 3,10).0(sup 5,9).0(sup 8,11))dodecan-3-olDTXSID701357170BDBM502889544-Azahexacyclo(5.4.1.0(sup 2,6).0(sup 3,10).0(sup 5,9).0(sup 8,11))dodecan-3-ol, 4-benzyl-11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-1-ol; hydrochloride8-benzylamino-8,11-oxapentacyclo(5.4.0.0(2,6).0(3,10).0(5,9))undecaneNGP 1-01
Show more names
4-benzyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan-3-ol4-Benzyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecane-3-ol2a,3,4,4a,5,6,6a,6b-Octahydro-1-(phenylmethyl)-2,6,3,5-ethanediylidenepentaleno[1,6-bc]pyrrol-2(1H)-ol
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in mouse: > 1gm/kg
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
- Toxicity
- LD50 oral in mouse: > 1gm/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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