L-1-Phenylethylamine factory
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1. Introduction of L-1-Phenylethylamine
The L-1-Phenylethylamine, with its CAS NO 2627-86-3, is a kind of colorless light yellow liquid. It has synonyms of Benzenemethanamine,a-methyl-, (S)-;(-)-((S)-a-Methylbenzyl)amine;(-)-1-Phenethylamine;(-)-a-Methylbenzenemethanamine;(1S)-1-Phenylethanamine;(S)-(-)-a-Methylbenzylamine;(S)-1-Amino-1-phenylethane;(S)-1-Phenethylamine;(S)-1-Phenyl-1-ethanamine;(S)-Phenethylamine;(S)-a-Methylbenzenemethanamine;(S)-a-Phenylethylamine;D-(-)-(a-Phenylethyl)amine;L-(-)-a-Methylbenzylamine;L-1-Amino-ethylbenzene L-a-Methylbenzylamine.
2. Properties of L-1-Phenylethylamine
(1) XLogP3 1.2 (2) H-Bond Don1 (3) H-Bond Accept1
(4) Rotatable Bond Count 1 (5) Exact Mass 121.089149 (6) MonoIsotopic Mass 121.089149
(7) Topological Polar Surface Area 26 (8) Heavy Atom Count 9 (9) Complexity 74.6
(10) Defined Atom Stereocenter Count 1 (11) Covalently-Bonded Unit Count 1
(12) Feature 3D DonCount 1 (13) Feature 3D Cation Count 1 (14) Feature 3D Ring Count 1
(15) Effective RotCount 1 (16) Conformer Sampling RMSD 0.4 (17) CID Conformer Count 3
3. Structure descriptors of L-1-Phenylethylamine
IUPAC Name: (1S)-1-phenylethanamine
InChI: InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
InChIKey: RQEUFEKYXDPUSK-ZETCQYMHSA-N
Canonical SMILES : CC(C1=CC=CC=C1)NIsomeric SMILES: C[C@@H](C1=CC=CC=C1)N
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