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Propranolol glycol

Propranolol glycol structure

CAS No:
36112-95-5
Formula:
C13H14O3
Chemical Name:
Propranolol glycol
Synonyms:
1,2-Propanediol,3-(1-naphthalenyloxy)-;1,2-Propanediol,3-(1-naphthyloxy)-;3-(1-Naphthalenyloxy)-1,2-propanediol;Propranolol glycol;1-(α-Naphthoxy)-2,3-propylene glycol;3-(α-Naphthoxy)-1,2-propanediol;3-(α-Naphthoxy)-1,2-propylene glycol;83314-77-6;88547-42-6
Categories:
Organic Chemistry > Amides

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Propranolol glycol Basic Attributes

Molecular Weight：

218.252

Exact Mass：

218.25

HScode：

2909490000

Characteristics

PSA：

49.7

XLogP3：

1.9

Density：

1.240±0.06 g/cm3(Predicted)

Melting Point：

92 °C

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

safety instructions：

36/37

RTECS Number：

TZ0800000

Marks：

Precautionary statement(s)：

P280, P302+P352, P312, P322, P361, P363, P405, P501

Hazard Statements：

H311

GHS Classification：

|Danger|H311 (97.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]|P280, P302+P352, P312, P322, P361, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-(alpha-naphthoxy)-1,2-propanediol

Propranolol glycol Use and Manufacturing

3-(1-Naphthalenyloxy)-1,2-propanediol is an impurity of Propranolol (P831800), an β?Adrenergic blocker used as a antihypertensive and antilanginal agent.

Computed Properties

Molecular Weight:218.25
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:218.094294304
Monoisotopic Mass:218.094294304
Topological Polar Surface Area:49.7
Heavy Atom Count:16
Complexity:207
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes