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Butyrylcholine chloride

Butyrylcholine chloride structure

CAS No:
2963-78-2
Formula:
C9H20NO2.Cl
Chemical Name:
Butyrylcholine chloride
Synonyms:
Ethanaminium,N,N,N-trimethyl-2-(1-oxobutoxy)-,chloride (1:1);Choline,chloride,butyrate;Ethanaminium,N,N,N-trimethyl-2-(1-oxobutoxy)-,chloride;Butyric acid,ester with choline chloride;Butyrylcholine chloride
Categories:
Organic Chemistry > Amides

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Butyrylcholine chloride Basic Attributes

Molecular Weight：

209.71400

Exact Mass：

209.11800

EC Number：

220-999-9

NSC Number：

70378

HScode：

2923900090

Characteristics

PSA：

26.30000

XLogP3：

-1.96010

Melting Point：

108-111ºC

Water Solubility：

>31.5 [ug/mL]

Storage Conditions：

-20ºC

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38:Irritating to eyes, respiratory system and skin .

safety instructions：

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing .

Marks：

Drug Information

MeSH Entry Terms：

butyrylcholine

Computed Properties

Molecular Weight:209.71
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:209.1182566
Monoisotopic Mass:209.1182566
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:138
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes