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N-Acetyldopamine

N-Acetyldopamine structure

CAS No:
2494-12-4
Formula:
C10H13NO3
Chemical Name:
N-Acetyldopamine
Synonyms:
Acetamide,N-[2-(3,4-dihydroxyphenyl)ethyl]-;Acetamide,N-(3,4-dihydroxyphenethyl)-;N-[2-(3,4-Dihydroxyphenyl)ethyl]acetamide;N-Acetyldopamine;NSC 314644;3208-59-1
Categories:
Organic Chemistry > Amides

Description

N-acetyldopamine is a secondary carboxamide obtained by formal condensation of the carboxy group of acetic acid with the amino group of dopamine. A dopamine metabolite. It has a role as a human urinary metabolite and a marine metabolite. It is a secondary carboxamide, a member of acetamides, a member of catechols and a N-(fatty acyl)-dopamine. It derives from a dopamine.

N-Acetyldopamine Basic Attributes

Molecular Weight：

195.218

Exact Mass：

195.22

NSC Number：

314644

DSSTox ID：

DTXSID70179656

Characteristics

PSA：

69.6

XLogP3：

-0.7

Density：

1.235±0.06 g/cm3(Predicted)

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

N-acetyldopamine

Computed Properties

Molecular Weight:195.21
XLogP3:-0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:195.08954328
Monoisotopic Mass:195.08954328
Topological Polar Surface Area:69.6
Heavy Atom Count:14
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes