AG001ULB

Name: [(1S)-1-Isocyanatopropyl]benzene
Brand: Angene Chemical
SKU: AG001ULB

164033-12-9 | [(1S)-1-Isocyanatopropyl]benzene

AG001ULB

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CAS Number	164033-12-9
Catalog Number	AG001ULB(AGN-PC-0Q8IT3)
Chemical Name	[(1S)-1-Isocyanatopropyl]benzene
IUPAC Name	[(1S)-1-isocyanatopropyl]benzene
InChI	InChI=1S/C10H11NO/c1-2-10(11-8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3/t10-/m0/s1
InChI Key	XGPXXSJFZSZULR-JTQLQIEISA-N
MDL Number	MFCD05664090
Molecular Formula	C10H11NO
Molecular Weight	161.2004
SMILES	CC[C@@H](C1=CC=CC=C1)N=C=O
Synonyms	164033-12-9, (S)-(-)-1-Phenylpropyl isocyanate, MFCD05664090, Benzene, (1-isocyanatopropyl)-, (S)-, [(1S)-1-isocyanatopropyl]benzene, (S)-1-phenylpropyl isocyanate, Benzene, [(1S)-1-isocyanatopropyl]-, SCHEMBL957752, CTK8C6289, (5)-(1-isocyanatopropyl)benzene, (S)-(1-isocyanatopropyl)benzene, XGPXXSJFZSZULR-JTQLQIEISA-N, ZINC2548076, AKOS025294662, RT-015491, (S)-(-)-1-Phenylpropyl isocyanate, AldrichCPR, I14-100054, ZINC02548076, CID7018275,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	161.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.204g/mol
Monoisotopic Mass	161.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited