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Home> Encyclopedia >   /  Food Additives  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Feed Additives  /  Vitamins, Amino Acids and Coenzymes
Diborazane structure
Diborazane structure

Diborazane

Iupac Name:(2S)-2-amino-3-methylbutanoic acid
CAS No.:72-18-4
Molecular Weight:117.14634
1. Names and Identifiers
1.1 Name
Diborazane
1.2 Synonyms

($l^{1}-boranylamino)boron CTK0H9268 DTXSID80633517 PUBCHEM_23383653

1.3 CAS No.
72-18-4
1.4 CID
6287
1.5 Inchi
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
1.6 InChkey
KZSNJWFQEVHDMF-BYPYZUCNSA-N
1.7 Canonical Smiles
CC(C)C(C(=O)O)N
1.8 Isomers Smiles
CC(C)[C@@H](C(=O)O)N
2. Properties
3.1 Melting point
315℃
3.1 Refractive index
1.507
3.1 Vapour pressure
5.55X10-9 mm Hg at 25 °C (est)
3.1 Precise Quality
117.07900
3.1 PSA
63.32000
3.1 logP
0.75460
3. Safety and Handling
4.1 Risk Statements
R40
4.1 Safety Statements
S24/25
4.1 WGK Germany
3
4.1 RTECS
YV9361000
4. 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

5. Computational chemical data
  • Molecular Weight:117.14634g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:117.078978594
  • Monoisotopic Mass:117.078978594
  • Complexity:90.4
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3
  • Heavy Atom Count:8
  • 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
6. Question & Answer
  • Valine (abbreviated as Val or V) is an -amino acid with the chemical formula HO2CCH(NH2)CH(CH3)2. It is named after the plant valerian. L-Valine is one of 20 proteinogenic amino acids. Its codons are GUU, GUC, GUA, and GUG. This essential amino acid is classified as nonpolar. Along with leucine and...
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