CAS 4276-09-9|CAS 2026-48-4|(2R)-2-amino-3-methylbutan-1-ol|(2R)-2-amino-3-methylbutan-1-ol|(R)-(-)-2-Amino-3-methyl-1-butanol|(R)-(-)-2-Amino-3-methylbutan-1-ol|D-Valinol|(R)-(-)-2-氨基-3-甲基-1-丁...

General Information

Structure

Molecular Formula

C₅H₁₃NO

Molecular Mass

103.16282

Exact Mass

103.09971404

Charge

InChI

InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m0/s1

InChIKey

NWYYWIJOWOLJNR-YFKPBYRVSA-N

Canonic Smiles

OC[C@@H](C(C)C)N

Isomeric Smiles

C([C@@H](C(C)C)N)O

Calculated Properties

JChem

Acid pKa

15.1198635

H Acceptors

H Donor

LogD (pH = 5.5)

-3.0263493

LogD (pH = 7.4)

-2.4011502

Log P

-0.011490631

Molar Refractivity

29.6255

Polarizability

12.084012

Polar Surface Area

46.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(2R)-2-amino-3-methylbutan-1-ol

IUPAC name

(2R)-2-amino-3-methylbutan-1-ol

Synonyms

(R)-(-)-2-Amino-3-methyl-1-butanol(R)-(-)-2-Amino-3-methylbutan-1-olD-Valinol(R)-(-)-2-氨基-3-甲基-1-丁醇D-2-Amino-3-methyl-1-butanolD-缬氨醇D-VALINOL(R)-(-)-2-Amino-3-methyl-1-butanol(R)-(-)-2-氨基-3-甲基-1-丁醇L-(+)-缬氨醇D-缬氨醇H-Val-olL-(+)-Valinol(R)-2-Amino-3-methyl-1-butanolD-ValinolH-D-Val-olD-(-)-Valinol(S)-(+)-2-Amino-3-methyl-1-butanol(R)-(-)-2-Amino-3-methyl-1-butanolD-(-)-缬氨醇

Names and Identifiers

Registration numbers

CAS Number

4276-09-92026-48-4

MDL Number

MFCD00064297MFCD00064296

Beilstein Number

17191381719137

PubChem CID

6950587

EC Number

217-975-5