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Home> Hot Product Listed S   > Sulfamide,N-cyclohexyl-
112887-68-0 structure

Sulfamide,N-cyclohexyl-

Iupac Name:(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]
thiophene-2-carbonyl]amino]pentanedioic acid
CAS No.:112887-68-0
Molecular Weight:458.48758
Molecular Formula:C4H9FSI (isomer)
Names and Identifiers
Synonyms

Cyclohexylsulfamide N-Cyclohexylsulfamide Sulfamide,cyclohexyl- (7CI,8CI,9CI)

Inchi
InChI=1/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
Canonical Smiles
CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O
Isomers Smiles
CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Properties
Melting Point
176-1800C
Refractive Index
1.638
Safety and Handling
Risk Statements
R36/38
Safety Statements
S26;S37/39
HazardClass
8
Transport
UN 2811 6.1 / PGIII
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 112887-68-0 EC: Sulfamide,N-cyclohexyl- ·ECHA C&L Inventory for CAS: CAS: 112887-68-0 EC: Sulfamide,N-cyclohexyl-
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Germ cell mutagenicity, Category 2

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H341 Suspected of causing genetic defects

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:458.48758g/mol
  • Molecular Formula:C4H9FSI
  • Exact Mass:458.126005
  • Monoisotopic Mass:458.126005
  • Complexity:790
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:177
  • Heavy Atom Count:32
  • 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:1
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