Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed C   > Cyclohexanol, 2,4-dimethyl-
9012-76-4 structure

Cyclohexanol, 2,4-dimethyl-

Iupac Name:methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CAS No.:9012-76-4
Molecular Weight:161.16
Molecular Formula:C12H14N4O4S2 (isomer)
Names and Identifiers
Synonyms

2,4-Dimethylcyclohexanol NSC 92760

Inchi
InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1
InChkey
FLASNYPZGWUPSU-SICDJOISSA-N
Canonical Smiles
COC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)O)CO)CO)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)N)O)N)O)N)O)N)O)N)O)N)O
Isomers Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O
Properties
Melting Point
88 deg C
Boiling Point
192.7°Cat760mmHg
Refractive Index
1.7
Flash Point
115.6°C
Safety and Handling
Risk Statements
20/21/22-36/37/38
Safety Statements
24/25-36-26
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 9012-76-4 EC: Cyclohexanol, 2,4-dimethyl- ·ECHA C&L Inventory for CAS: CAS: 9012-76-4 EC: Cyclohexanol, 2,4-dimethyl-
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:161.16g/mol
  • Molecular Formula:C12H14N4O4S2
  • Compound Is Canonicalized:True
  • Exact Mass:1525.635
  • Monoisotopic Mass:1525.635
  • Complexity:2630
  • Rotatable Bond Count:27
  • Hydrogen Bond Donor Count:29
  • Hydrogen Bond Acceptor Count:47
  • Topological Polar Surface Area:808A^2
  • Heavy Atom Count:104
  • Defined Atom Stereocenter Count:45
  • 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: AAADcfB//gAAAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAI AAAAGAAAAAAAAAAAAIAIAAETEAIAgAAnQAAHFgAXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13667132959
  • Fax:86-27-13667132919
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-570-3865831
  • Fax:86-570-3865831
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-21-61124658
  • Fax:86-21-61294103
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13667132959
  • Fax:86-27-13667132919
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-570-3865831
  • Fax:86-570-3865831
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-21-61124658
  • Fax:86-21-61294103
 
<