3D Mol Similar

Diborazane

Iupac Name：(2S)-2-amino-3-methylbutanoic acid

CAS No.：72-18-4

Molecular Weight：117.14634

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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

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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

Biological activity of L-Valine Mar 16 2021
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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