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ABT-418 HYDROCHLORIDE

ABT-418 HYDROCHLORIDE structure

CAS No:
147388-83-8
Formula:
C9H14N2O.ClH
Chemical Name:
ABT-418 HYDROCHLORIDE
Synonyms:
ABT-418 HYDROCHLORIDE;3-Methyl-5-[(2S)-1-Methylpyrrolidin-2-yl]isoxazole hydrochloride;ABT-418 HCl;(S)-3-Methyl-5-(1-methylpyrrolidin-2-yl)-isoxazolea€￠HCl
Categories:
Pharmaceutical Intermediates > Antidepressants

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ABT-418 HYDROCHLORIDE Basic Attributes

Molecular Weight：

202.684

Exact Mass：

202.087

UNII：

1ALA933VO4

DSSTox ID：

DTXSID60438901

Characteristics

PSA：

29.3

XLogP3：

2.48960

Appearance：

white to off-white solid

Boiling Point：

249.2ºC at 760 mmHg

Flash Point：

104.5ºC

Water Solubility：

H2O: 15 mg/mL, soluble

Vapor Pressure：

0.0232mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1/PG 1

wgk germany：

hazard class code：

26/27/28

safety instructions：

22-28-36/37-45-7/9

Marks：

T+

Precautionary statement(s)：

P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, 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.

Computed Properties

Molecular Weight:202.68
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:202.0872908
Monoisotopic Mass:202.0872908
Topological Polar Surface Area:29.3
Heavy Atom Count:13
Complexity:163
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Recommended Suppliers of ABT-418 HYDROCHLORIDE

Guangzhou Yaoguang Technology Co., Ltd. Contact Supplier

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147388-83-8

CAS No.: 147388-83-8

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