D, L-Azatryptophan hydrate

CAT: 0926-FA18065-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FA18065-01Size:500 mg

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CAS Number

7146-37-4

Synonyms

A-Amino-1H-pyrrolo[2,3-b]pyridine-3-propanoic acid hydrate

MDL Number

MFCD00150525

Molecular Formula

C10H13N3O3

Molecular Weight

223.23 g/mol

Controlled

Chemical Information

DL-7-Azatryptophan hydrate

CAS Number	7146-37-4
PubChem CID	24801922
IUPAC Name	2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate
Molecular Formula	C10H13N3O3
Molecular Weight	223.23
Topological Polar Surface Area	93
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	247

SMILES

C1=CC2=C(NC=C2CC(C(=O)O)N)N=C1.O

InChI

InChI=1S/C10H11N3O2.H2O/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9;/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15);1H2

InChIKey

PXDRHYQAIUZKHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7146-37-4

CID: 24801922

Formula: C10H13N3O3

MW: 223.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.23
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	223.09569129
Monoisotopic Mass	223.09569129
Topological Polar Surface Area	93 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	247
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
TRC-A803575-1G	D,L-Azatryptophan Hydrate
HY-W131398-01	D, L-Azatryptophan (hydrate)
259767-01	D, L-Azatryptophan hydrate
A4935-55	D, L-Azatryptophan, Hydrate
MBS6016883-01	D,L-Azatryptophan, Hydrate
OR59918	DL-7-Azatryptophan hydrate
13131	DL-7-Azatryptophan Hydrate extrapure, 98%
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