CAS 321-97-1|L-伪麻黄碱|(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol|(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol|(-)-ψ-麻黄碱|(1R,2R)-2-甲氨基-1-苯基-1-丙醇|(-)-伪麻黄碱|(-)-Pseudoephedrine|(-)-伪麻...

General Information

Structure

Molecular Formula

C₁₀H₁₅NO

Molecular Mass

165.2322

Exact Mass

165.11536411

Charge

InChI

InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m1/s1

InChIKey

KWGRBVOPPLSCSI-SCZZXKLOSA-N

Canonic Smiles

CN[C@@H]([C@@H](c1ccccc1)O)C

Isomeric Smiles

C[C@H]([C@@H](c1ccccc1)O)NC

Calculated Properties

JChem

Acid pKa

13.889531

H Acceptors

H Donor

LogD (pH = 5.5)

-1.8580045

LogD (pH = 7.4)

-0.7786886

Log P

1.3178347

Molar Refractivity

49.6873

Polarizability

19.85273

Polar Surface Area

32.26

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

L-伪麻黄碱(-)-ψ-麻黄碱(1R,2R)-2-甲氨基-1-苯基-1-丙醇(-)-伪麻黄碱(-)-Pseudoephedrine(-)-伪麻黄碱(1R,2R)-(-)-2-(甲氨基)-1-苯丙醇(-)-Pseudoephedrinel-Pseudoephedrineα-(1-甲氨基乙基)苄醇(1R,2R)-(-)-Pseudoephedrine(1R,2R)-(-)-2-(Methylamino)-1-phenylpropanol(1R,2R)-2-Methylamino-1-phenyl-1-propanolα-(1-Methylaminoethyl)benzyl alcohol(1R,2R)-(-)-伪麻黄碱(-)-ψ-Ephedrine

IUPAC name

(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol

IUPAC Traditional name

(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol

Names and Identifiers

Registration numbers

EC Number

206-292-8

CAS Number

321-97-1

MDL Number

MFCD00002203