D-Tryptophanol

C₁₁H₁₄N₂OCAS 52485-52-6190.25 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₁₁H₁₄N₂O
Molar mass: 190.25 g/mol
Exact mass: 190.1106 Da
logP: 1.03Crippen estimate
Polar surface area: 62.0 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52485-52-6

SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](CO)N

InChIKey

UDQCRUSSQAXPJY-SECBINFHSA-N

InChI

InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(2R)-2-Amino-3-(1H-indol-3-yl)propan-1-ol

Work with D-Tryptophanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Tryptophanol2899-29-8Enantiomer

Similar compounds

L-Beta-homotryptophan hydrochloride192003-01-360 % similar (+-)-Alpha-Methyltryptamine299-26-359 % similar Indole-3-carbinol700-06-156 % similar D-Tryptophan153-94-655 % similar (±)-Tryptophan54-12-655 % similar Tryptophan73-22-355 % similar Tryptophol526-55-654 % similar 3,3′-Diindolylmethane1968-05-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Benzoylpiperazine13754-38-6 1-Phenyl-4,4-dimethyl-3-pyrazolidone2654-58-2 6-Methoxytryptamine3610-36-4 Cytisine485-35-8 1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone57756-36-2 1-Benzylpiperazin-2-one59702-21-5 5-Methoxytryptamine608-07-1

Elsewhere

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