5α-Androst-2-en-17-one
Properties
- Molecular formula
- C19H28O
- Molar mass
- 272.43 g/mol
- Exact mass
- 272.2140 Da
- Melting point
- 106–108 °C
- logP
- 4.76Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
- Stereocentres
- S, S, R, S, S, Sin SMILES atom order
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H351 Suspected of causing cancer50% of notifiers
- H361 Suspected of damaging fertility or the unborn child50% of notifiers
- H361fd Suspected of damaging fertility; Suspected of damaging the unborn child50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501
Identifiers
CAS number
963-75-7SMILES
C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12InChIKey
ISJVDMWNISUFRJ-HKQXQEGQSA-NInChI
InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Androst-2-en-17-one, (5α)-
- (5α)-Androst-2-en-17-one
- Ba 2662
- 17-Oxo-5α-androst-2-ene
- NSC 44506
- NSC 80614
- 5α-Androst-2-ene-17-one
- 5Alpha-androst-2-en-17-one
Work with 5α-Androst-2-en-17-one
Similar compounds
Androstanedione846-46-862 % similar
(5Alpha)-Androsta-2,16-dien-17-yl acetate50588-42-660 % similar
Epiandrosterone481-29-860 % similar
Androsterone53-41-860 % similar
Etiocholanolone53-42-960 % similar
3β-Acetoxy-5α-androstan-17-one1239-31-254 % similar
1-Androstene-3B-ol,17-one76822-24-751 % similar
Androstenedione63-05-849 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds