AG003I9G

4104-45-4 | 3-(Methylthio)propylamine

AG003I9G

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CAS Number	4104-45-4
Catalog Number	AG003I9G(AGN-PC-0JLQWR)
Chemical Name	3-(Methylthio)propylamine
EC Number	223-875-2
FEMA Number	4649
IUPAC Name	3-methylsulfanylpropan-1-amine
InChI	InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3
InChI Key	KKYSBGWCYXYOHA-UHFFFAOYSA-N
MDL Number	MFCD00041898
Molecular Formula	C4H11NS
Molecular Weight	105.2018
SMILES	NCCCSC
UNII	1IAP0CGD5S
Synonyms	3-methylthiopropylamine, 3-MTPA, 3-Methylthiopropylamine, 3-(Methylthio)propylamine, 4104-45-4, 1-Propanamine, 3-(methylthio)-, 3-Methylthiopropanamine, Methylmercaptopropylamine, 3-(methylsulfanyl)propan-1-amine, UNII-1IAP0CGD5S, 3-Methylmercaptopropylamine, 3-(methylthio)-1-propanamine, 1IAP0CGD5S, 3-Aminopropyl methyl sulfide, 3-methylsulfanylpropan-1-amine, KKYSBGWCYXYOHA-UHFFFAOYSA-N, MFCD00041898, C03354, Propylamine, 3-(methylthio)-, methylthiopropylamine, EINECS 223-875-2, 3-methylthio-propylamine, ACMC-1AN5M, 3-(methylthio)-propylamine, 3-methylsulfanyl-propylamine, AC1L2TQ2, AC1Q7E8E, [3-(methylthio)propyl]amine, SCHEMBL22662, 3-(Methylmercapto)propylamine, 3-(Methylsulphanyl)propylamine, 3-(methylthio)propan-1-amine, 3-Methylmercapto-1-propylamine, DTXSID1063300, CHEBI:16696, 3-(Methylthio)propylamine, 97%, ZINC1529637, 2867AE, 3-(Methylsulfanyl)-1-propanamine #, ANW-29546, BBL102293, STL556092, AKOS005203380, AN-18833, AB0109698, DB-070131, TR-016334, FT-0650366, M0754, EN300-63965, Y-8581, I05-2096, 3- PROPYLAMINE, 3-(methylsulfanyl)propanamine, C4H11NS, C4-H11-N-S, CID77743, AR-1C5470, 4371-34-0,

Complexity	23.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	105.061g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	105.199g/mol
Monoisotopic Mass	105.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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