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Home> Hot Product Listed P   > Pentanoic acid,4-hydroxy-, hydrazide
161735-79-1 structure

Pentanoic acid,4-hydroxy-, hydrazide

Iupac Name:methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CAS No.:161735-79-1
EINECS(EC#): 289-322-2
Molecular Weight:267.343
Molecular Formula:(C12H10NO2P)N (isomer)
Names and Identifiers
Synonyms

4-hydroxypentanehydrazide 4-hydroxy-pentanoic acid hydrazide AC1L6MFF AC1Q5PVK AKOS012885322 BBL018741 CTK4F3937 DTXSID50296618 H1393 MCULE-3743680204 mfcd01605769 MOLPORT-011-167-835 NSC 110496 nsc110496 nsc-110496 OR247209 SCHEMBL10153020 Valericacid, 4-hydroxy-, hydrazide (6CI,7CI,8CI)

Inchi
InChI=1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1
InChkey
JDBJJCWRXSVHOQ-UTONKHPSSA-N
Canonical Smiles
CS(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12
Isomers Smiles
CS(=O)(=O)O.C#CCN[C@@H]1CCC2=CC=CC=C12
Properties
Melting Point
155-158°C
Boiling Point
608.9°Cat760mmHg
Vapour
0.000816mmHg at 25°C
Flash Point
355.3°C
Safety and Handling
Risk Statements
22
Safety Statements
24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:267.343g/mol
  • Molecular Formula:(C12H10NO2P)N
  • Compound Is Canonicalized:True
  • Exact Mass:267.093
  • Monoisotopic Mass:267.093
  • Complexity:305
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.8A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceByMABAAAAAAAAAAAAAAAAAAYAAAAAwAAAAAAAAAGABAAAAHAQQCAAADCjBGASyAILAAILA GiBCAHCCAAAgAAAIiIAIBIgIICKAkRGEIAhgkACIiAcQgIAOgAAAAAAQAAAAAAAAACAAACAACQAA AA==
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Recommended Suppliers
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  • Tel:86-27-111111111111
  • Fax:86-27-11111111111111
  • Tel:86-25-83697070
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