AG009AI7

13492-01-8 | trans-2-Phenylcyclopropylamine hemisulfate salt

AG009AI7

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CAS Number	13492-01-8
Catalog Number	AG009AI7(AGN-PC-0PKFZ4)
Chemical Name	trans-2-Phenylcyclopropylamine hemisulfate salt
EC Number	236-807-1
IUPAC Name	(1R,2S)-2-phenylcyclopropan-1-amine;sulfuric acid
InChI	InChI=1S/2C9H11N.H2O4S/c2*10-9-6-8(9)7-4-2-1-3-5-7;1-5(2,3)4/h2*1-5,8-9H,6,10H2;(H2,1,2,3,4)/t2*8-,9+;/m00./s1
InChI Key	BKPRVQDIOGQWTG-FKXFVUDVSA-N
MDL Number	MFCD00079222
Molecular Formula	C18H24N2O4S
Molecular Weight	364.4592
SMILES	N[C@H]1[C@H]([C@]2=CC=CC=C2)C1.O=S(O)(O)=O.N[C@H]3[C@H]([C@]4=CC=CC=C4)C3
Synonyms	Jatrosom, Parnate, Sulfate, Tranylcypromine, trans 2 Phenylcyclopropylamine, trans-2-Phenylcyclopropylamine, Transamine, Tranylcypromine, Tranylcypromine Sulfate, 13492-01-8, Tranylcypromine sulfate, TRANS-2-PHENYLCYCLOPROPYLAMINE HEMISULFATE SALT, Tranylcypromine hemisulfate, (1R,2S)-2-phenylcyclopropan-1-amine;sulfuric acid, 1-amino-2-phenylcyclopropanesulfate, Tranylcypromine sulfate [USAN:USP], AKOS028113138, API0009012, [(1R,2S)-2-phenylcyclopropyl]ammonium, [(1S,2R)-2-phenylcyclopropyl]ammonium, Tranylcypromine sulfate; Tranylcypromine, AS-16857, trans-2-phenylcyclopropylamine HEMISULFATE, FT-0082080, (1R,2S)-2-phenylcyclopropanamine hemisulfate, (+-)-trans-2-phenylcyclopropylaminesulfate(2:1), C-20989, trans-2-phenyl-cyclo-propyl-amine hemisulfate salt, UNII-7ZAT6ES870 component BKPRVQDIOGQWTG-FKXFVUDVSA-N, 2-phenyl-cyclopropanamintrans-(+-)-cyclopropanaminsulfate(2:1), Cyclopropanamine, 2-phenyl-, (1R,2S)-rel-, sulfate (2:1), 2-phenyl-cyclopropylaminsulfate,trans-(+-)-cyclopropylamin(2:1), Parnate, Tylciprine, sulfate, Tranylcypromine sulphate, Phenylcyclopromine sulfate, dl-Tranylcypromine sulfate, UNII-7ZAT6ES870, 7ZAT6ES870, EINECS 236-807-1, 1-Amino-2-phenylcyclopropane sulfate, trans,DL-2-Phenylcyclopropylamine sulfate, TRANYLCYPROMINE HEMISULFATE SALT, ACN-051374, Tranylcypromine sulfate [USAN:USP:USP], C9-H11-N.1/2H2-O4-S, C3175, (+-)-trans-2-Phenylcyclopropylamine sulfate (2:1), Cyclopropanamine, 2-phenyl-, trans-(+-)-, sulfate (2:1), Cyclopropanamine, 2-phenyl-, trans-(.+-.)-, sulfate (2:1), Cyclopropanamine, 2-phenyl-, trans-(.+.)-, sulfate (2:1), Cyclopropylamine, 2-phenyl-, sulfate (2:1), trans-(.+.)-, Cyclopropylamine, 2-phenyl-, sulfate, trans-(+-)-, (2:1), [(1S,2R)-2-phenylcyclopropyl]azanium; [(1R,2S)-2-phenylcyclopropyl]azanium; sulfate,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	364.146g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	364.46g/mol
Monoisotopic Mass	364.146g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	135A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300-H311+H331
Packing Group	Ⅱ
Precautionary statements	P261-P280-P302+P352+P312-P304+P340+P312-P403+P233
UN Code	UN 2811

Certificate of Analysis

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