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Home> Encyclopedia > Hot Product Listed 5   > 5a-Pregnan-20-one,3a-amino-, hydrochloride (6CI,7CI,8CI)
2592-95-2 structure

5a-Pregnan-20-one,3a-amino-, hydrochloride (6CI,7CI,8CI)

Iupac Name:1-hydroxybenzotriazole
CAS No.:2592-95-2
Molecular Weight:135.126
Molecular Formula:C6H8N2O3S (isomer)
Names and Identifiers
Synonyms

(3alpha,5alpha)-3-aminopregnan-20-one--hydrogen chloride (1/1) 1-[(3r,5s,8r,9s,10s,13s,14s,17s)-3-amino-10,13-dimethyl-2,3 DTXSID10714080 funtumine hydrochloridyl nsc32143 nsc-32143

Inchi
InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H
InChkey
ASOKPJOREAFHNY-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)N=NN2O
Properties
Density
1.022
Melting Point
156-159℃
Vapour
3.28E-05mmHg at 25°C
Refractive Index
n20/D 1.488
HS Code
29339980
Safety and Handling
Risk Statements
R11;R5
Safety Statements
S16;S33;S7/9
HazardClass
4.1
PackingGroup
III
Transport
1325
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Explosives, Division 1.3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H203 Explosive; fire, blast or projection hazard

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P230 Keep wetted with \u2026

P234 Keep only in original packaging.

P240 Ground and bond container and receiving equipment.

P250 Do not subject to grinding/shock/friction/\u2026.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P370+P372+P380+P373 In case of fire: Explosion risk. Evacuate area. DO NOT fight fire when fire reaches explosives.

Storage

P401 Store in accordance with\u2026

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:135.126g/mol
  • Molecular Formula:C6H8N2O3S
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.2
  • Exact Mass:135.043
  • Monoisotopic Mass:135.043
  • Complexity:130
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:50.9A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAMCAAACAiBFgAwwLAQAACi ASRiQACCBAQgEgA4mCAwdJgIYKKAkZGAIABggAAIyAcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
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  • Fax:86-571-85829153
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