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Benzenemethanol, α-(aminomethyl)-3-chloro-4-fluoro-α-methyl- structure
Benzenemethanol, α-(aminomethyl)-3-chloro-4-fluoro-α-methyl- structure

Benzenemethanol, α-(aminomethyl)-3-chloro-4-fluoro-α-methyl-

Iupac Name:3-(diaminomethylidene)-1,1-dimethylurea
CAS No.: 118632-64-7
Molecular Weight:130.1484
Modify Date.: 2021-08-10 18:31
1. Names and Identifiers
1.1 Name
Benzenemethanol, α-(aminomethyl)-3-chloro-4-fluoro-α-methyl-
1.2 CAS No.
118632-64-7
1.3 CID
20160555
1.4 Molecular Formula
C11H13NO4 (isomer)
1.5 Inchi
InChI=1S/C4H10N4O/c1-8(2)4(9)7-3(5)6/h1-2H3,(H4,5,6,7,9)
1.6 InChkey
YMYQMVUUWPSXRQ-UHFFFAOYSA-N
1.7 Canonical Smiles
CN(C)C(=O)N=C(N)N
1.8 Isomers Smiles
CN(C)C(=O)N=C(N)N
2. Properties
3.1 Density
1.083±0.06 g/cm3(Predicted)
3.1 Refractive index
1.55
3.1 PSA
82.21
3. Safety and Handling
4.1 Safety Statements
safetyDesc
4. Computational chemical data
  • Molecular Weight: 130.1484g/mol
  • Molecular Formula: C11H13NO4
  • Compound Is Canonicalized: True
  • XLogP3-AA: _0.8
  • Exact Mass: 130.08546096
  • Monoisotopic Mass: 130.08546096
  • Complexity: 136
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 84.7
  • Heavy Atom Count: 9
  • 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
5. Recommended Suppliers
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  • Products:Shanghai Hope Chem Co., Ltd. was founded in 2014 with registered capital of RMB 2 million Yuan.
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N-(Aminoiminomethyl)-N,N-dimethylurea
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/11/21
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  • Tel:86-21-58998985
Urea, N'-(aminoiminomethyl)-N,N-dimethyl-
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
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