AG003AYW

3789-59-1 | (S)-1-Phenylpropan-1-amine

AG003AYW

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CAS Number	3789-59-1
Catalog Number	AG003AYW(AGN-PC-0REYEM)
Chemical Name	(S)-1-Phenylpropan-1-amine
IUPAC Name	(1S)-1-phenylpropan-1-amine
InChI	InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3/t9-/m0/s1
InChI Key	AQFLVLHRZFLDDV-VIFPVBQESA-N
MDL Number	MFCD00082356
Molecular Formula	C9H13N
Molecular Weight	135.2062
SMILES	[C@@H](CC)(N)c1ccccc1
Synonyms	3789-59-1, (S)-1-Phenylpropan-1-amine, (S)-(-)-1-AMINO-1-PHENYLPROPANE, (S)-(-)-1-Phenylpropylamine, (1S)-1-phenylpropan-1-amine, (S)-1-Phenylpropylamine, (S)-(-)-alpha-Ethylbenzylamine, (s)--ethylbenzylamine, MFCD00082356, (S)-(-)-mEthylbenzylamine, (S)-(-)-|A-Ethylbenzylamine, PubChem6025, AC1ODUCC, (1s)-phenylpropylamine, (1S)-1-phenylpropylamine, (S)-1-phenyl propylamine, (S)-1-phenyl-propylamine, (S)-alpha-ethyl benzylamine, DSSTox_CID_29144, DSSTox_RID_83363, (s)-1-phenyl-n-propylamine, DSSTox_GSID_49288, (s)-1-phenyl-1-propanamine, KSC495I2D, (S)-(-)-a-ethylbenzylamine, (S)-1-(phenyl)-propylamine, SCHEMBL170928, AC1Q2C87, CHEMBL3183068, DTXSID0049288, (s)-(-)-1-phenyl propylamine, CTK3J5421, KS-00000UCP, AQFLVLHRZFLDDV-VIFPVBQESA-N, ZINC1665102, Tox21_202829, ANW-61955, AKOS016843295, CS-W013346, LS30125, (S)-(-)-1-Phenylpropylamine, ChiPros, NCGC00260375-01, AJ-28990, AS-14980, N461, SC-03999, CAS-3789-59-1, AB0015802, RT-002513, A6446, FT-0605214, P1508, ST24026504, M-3389, (S)-(-)-alpha-Ethylbenzylamine, >=95.0% (GC), (S)-(-)-alpha-Ethylbenzylamine, ChiPros(R), produced by BASF, >=99%, 1-Phenyl-propylamine, (S)-alpha-ethylbenzylamine, (R)-(+)-Ethylbenzylamine, (S)-(-)-Ethylbenzylamine, C9H13N, NSC32756, CID6993773, 3082-64-2,

Complexity	84.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	135.105g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	135.21g/mol
Monoisotopic Mass	135.105g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

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