(3S,4aS,8aS)-Decahydroisoquinolinecarboxylic Acid, Hydrochloride Salt (90%) - CAS 1221793-35-6
Catalog: |
BB068620 |
Product Name: |
(3S,4aS,8aS)-Decahydroisoquinolinecarboxylic Acid, Hydrochloride Salt (90%) |
CAS: |
1221793-35-6 |
Synonyms: |
(S)-Decanhydroisoquinoline-3-carboxylic acid hydrochloride; (3S)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid; hydrochloride |
IUPAC Name: | (3S)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acidhydrochloride |
Description: | (3S,4aS,8aS)-Decahydroisoquinolinecarboxylic Acid, Hydrochloride Salt (90%) (cas# 115238-58-9) is a compound useful in organic synthesis. |
Molecular Weight: | 183.25 + (36.46) |
Molecular Formula: | C10H17NO2·HCl |
Canonical SMILES: | C1CCC2CNC(CC2C1)C(=O)O.Cl |
InChI: | InChI=1S/C10H17NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h7-9,11H,1-6H2,(H,12,13)1H/t7?,8?,9-/m0./s1 |
InChI Key: | UHPVXZBGHNSXBU-BUJNUYNZSA-N |
Melting Point: | >80°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Sparingy) |
Appearance: | White to Off-White Solid |
Storage: | 4°C, Hygroscopic |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.1026065 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.1026065 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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