CAS 203633-19-6|4-[2-amino(<sup>2</sup>H<sub>4</sub>)ethyl]benzene-1,2-diol hydrochloride|2-(3,4-Dihydroxyphenyl)ethyl-1,1,2,2-d4-amine hydrochloride|Dopamine-1,1,2,2-d4 hydrochloride|4-[2-amino(<su...

Molecular Formula

C₈H₁₂ClNO₂

Molecular Mass

189.63938

Exact Mass

189.05565631

InChI

InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H

InChIKey

CTENFNNZBMHDDG-UHFFFAOYSA-N

Canonic Smiles

NCCc1ccc(c(c1)O)O.Cl

Isomeric Smiles

C(c1ccc(c(c1)O)O)CN.Cl

JChem

Acid pKa

10.007776

H Acceptors

H Donor

LogD (pH = 5.5)

-2.2235985

LogD (pH = 7.4)

-1.4458275

Log P

0.02955024

Molar Refractivity

43.2482

Polarizability

16.745182

Polar Surface Area

66.48

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC Traditional name

4-[2-amino(²H₄)ethyl]benzene-1,2-diol hydrochloride

Synonyms

2-(3,4-Dihydroxyphenyl)ethyl-1,1,2,2-d4-amine hydrochloride多巴胺-1,1,2,2-d4 盐酸盐2-(3,4-二羟基苯基)乙胺-1,1,2,2-d4 盐酸盐Dopamine-1,1,2,2-d4 hydrochloride

IUPAC name

4-[2-amino(²H₄)ethyl]benzene-1,2-diol hydrochloride

CAS Number

MDL Number

PubChem SID

PubChem CID

Safety Information

GHS Hazard statements

H315-H318-H335

German water hazard class

GHS Precautionary statements

P261-P280-P305+P351+P338

Irritant (Xi)

37/38-41

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Download link

26-36/37/39

dust mask type N95 (US), Eyeshields, Gloves

Danger

Product Information

mol wt 193.59 by atom % calculation

98 atom % D

C8D4H7O2N.HCl

Physical Property

248-250 °C(lit.)

M+4

No Data Available

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No Data Available

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Sigma Aldrich

655651

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Commercial Catalog

Academic Data

IUPAC Traditional name

4-[2-amino(²H₄)ethyl]benzene-1,2-diol hydrochloride

Synonyms

2-(3,4-Dihydroxyphenyl)ethyl-1,1,2,2-d4-amine hydrochloride多巴胺-1,1,2,2-d4 盐酸盐2-(3,4-二羟基苯基)乙胺-1,1,2,2-d4 盐酸盐Dopamine-1,1,2,2-d4 hydrochloride

IUPAC name

4-[2-amino(²H₄)ethyl]benzene-1,2-diol hydrochloride

CAS Number

MDL Number

PubChem SID

PubChem CID

655651

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Safety Information

GHS Hazard statements

H315-H318-H335

German water hazard class

GHS Precautionary statements

P261-P280-P305+P351+P338

Irritant (Xi)

37/38-41

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Download link

26-36/37/39

dust mask type N95 (US), Eyeshields, Gloves

Danger

Product Information

mol wt 193.59 by atom % calculation

98 atom % D

C8D4H7O2N.HCl

Physical Property

248-250 °C(lit.)

M+4

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Molecule

ID:135859