Name: Name:(S)-(-)-1-Phenylethyl isocyanate
Brand: AABLOCKS
SKU: AA003CAI
Rating: 90 (10 reviews)

Catalog No.: AA003CAI

14649-03-7 | (S)-(-)-1-Phenylethyl isocyanate

Pack Size： 5g

Purity： 98%

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Technical Information

Catalog Number: AA003CAI

Chemical Name: (S)-(-)-1-Phenylethyl isocyanate

CAS Number: 14649-03-7

Molecular Formula: C9H9NO

Molecular Weight: 147.1739

MDL Number: MFCD00002036

SMILES: C[C@@H](c1ccccc1)N=C=O

Properties

BP: 204.1°C at 760 mmHg

Form: Liquid

Refractive Index: n20/D 1.5145(lit.)

Stability: Moisture Sensitive

Storage: Inert atmosphere;2-8℃;

Complexity: 155

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 1

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 11

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.9

Downstream Synthesis Route

826-39-1

14649-03-7

(1S,2R,4R)-N-<((S)-1-phenylethyl)carbamoyl>mecamylamine

107485-87-0

[1]HelveticaChimicaActa,1986,vol.69,p.1486-1497

14649-03-7

3417-91-2

145401-84-9

[1]TetrahedronLetters,1989,vol.30,p.4211-4214

14649-03-7

144541-23-1

1-<(S)-1-phenyl-1-ethyl>-3-<(1R,2R,5S)-2-phenyl-2-bicyclo<3.1.0>hexyl>urea

[1]Costa,BrianR.de;Mattson,MarienaV.;George,Clifford;Linders,JoannesT.M.[JournalofMedicinalChemistry,1992,vol.35,#25,p.4704-4712]

14649-03-7

144541-22-0

1-<(S)-1-phenyl-1-ethyl>-3-<(1S,2S,5R)-2-phenyl-2-bicyclo<3.1.0>hexyl>urea

[1]Costa,BrianR.de;Mattson,MarienaV.;George,Clifford;Linders,JoannesT.M.[JournalofMedicinalChemistry,1992,vol.35,#25,p.4704-4712]

14649-03-7

83665-45-6

erythro-1-(3,4,5-trimethoxyphenyl)-2-methyl-2-<4-(3-acetyl-1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)piperidin-1-yl>ethylN-(1-phenylethyl)carbamate

[1]Kasuya;Shigenobu;Hashikami;Karashima;Obase;Takai;Teranishi;Karasawa;Kubo[JournalofMedicinalChemistry,1983,vol.26,#2,p.208-213]

Literature fold

Title: Human cervical tissue metabolizes the tobacco-specific nitrosamine, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone, via alpha-hydroxylation and carbonyl reduction pathways.

Journal: Carcinogenesis20010101

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