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1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one

1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one structure

CAS No:
1021-25-6
Formula:
C13H17N3O
Chemical Name:
1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Synonyms:
1,3,8-Triazaspiro[4.5]decan-4-one,1-phenyl-;1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one;4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane;1-Phenyl-4-oxo-1,3,8-triazaspiro[4.5]decane;NSC 96918;72724-31-3;1172126-80-5

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Description

beige to light brown powder

1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one Basic Attributes

Molecular Weight：

231.299

Exact Mass：

231.29

EC Number：

213-819-5

NSC Number：

96918

DSSTox ID：

DTXSID00144635

HScode：

29339980

Characteristics

PSA：

44.4

XLogP3：

0.8

Density：

1.0744 (rough estimate)

Melting Point：

168-176 °C

Boiling Point：

373.38°C (rough estimate)

Flash Point：

243.9ºC

Refractive Index：

1.5700 (estimate)

Safety Information

wgk germany：

hazard class code：

R22

safety instructions：

22-24/25

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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

spirodecanone

1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one Use and Manufacturing

1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one is a metabolite of long acting neuroleptic agent Fluspirilene (F599800). 1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one is also a basic metabolite formed from bu tyrophenone type agents.

Computed Properties

Molecular Weight:231.29
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:231.137162174
Monoisotopic Mass:231.137162174
Topological Polar Surface Area:44.4
Heavy Atom Count:17
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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5 YRS

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1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE,1-PHENYL-

CAS No.: 1021-25-6

Content: 99.00%

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Hot Searches: naf compound name; cupric oxide formula; disodium pyrophosphate; p4o10; propanedioic acid; isopropyl ether

Guide of 1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one

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