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(+)-Carnitine

(+)-Carnitine structure

CAS No:
541-14-0
Formula:
C7H15NO3
Chemical Name:
(+)-Carnitine
Synonyms:
1-Propanaminium,3-carboxy-2-hydroxy-N,N,N-trimethyl-,inner salt,(2S)-;Ammonium,(3-carboxy-2-hydroxypropyl)trimethyl-,hydroxide,inner salt,D-;1-Propanaminium,3-carboxy-2-hydroxy-N,N,N-trimethyl-,inner salt,(S)-;(+)-Carnitine;d-Carnitine;D-(+)-Carnitine;D-Carnitine;(+)-D-Carnitine;(S)-3-Hydroxy-4-(trimethylammonio)butanoate
Categories:
Organic Chemistry > Nitrogen Compounds

Description

white to light yellow crystal powde

(S)-carnitine is the (S)-enantiomer of carnitine. It is a conjugate base of a (S)-carnitinium. It is an enantiomer of a (R)-carnitine.

(+)-Carnitine Basic Attributes

Molecular Weight：

161.199

Exact Mass：

161.105194

UNII：

U9VY0ZOK7A

HScode：

29391900

Characteristics

PSA：

60.36000

XLogP3：

-4.52

Density：

1.1587 (rough estimate)

Melting Point：

197ºC

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S37-S39

Marks：

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(+)-Carnitine Use and Manufacturing

Essential cofactor of fatty acid metabolism; required for the transport of fatty acids through the inner mitochondrial membrane. Synthetized primarily in the liver and kidney; highest concentrations found in heart and skeletal muscle. Dietary sources include red meat, dairy products, beans, avocado.

Computed Properties

Molecular Weight:161.20
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:161.10519334
Monoisotopic Mass:161.10519334
Topological Polar Surface Area:60.4
Heavy Atom Count:11
Complexity:134
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 541-14-0

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