AG00DAC1

53515-36-9 | 4-(2-AMINOETHYL)THIOMORPHOLINE

AG00DAC1

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CAS Number	53515-36-9
Catalog Number	AG00DAC1(AGN-PC-0KKV9F)
Chemical Name	4-(2-AMINOETHYL)THIOMORPHOLINE
IUPAC Name	2-thiomorpholin-4-ylethanamine
InChI	InChI=1S/C6H14N2S/c7-1-2-8-3-5-9-6-4-8/h1-7H2
InChI Key	ZMBVBAVBXVSHER-UHFFFAOYSA-N
MDL Number	MFCD02179434
Molecular Formula	C6H14N2S
Molecular Weight	146.2538
SMILES	NCCN1CCSCC1
Synonyms	4-(2-Aminoethyl)thiomorpholine, 53515-36-9, 2-Thiomorpholinoethanamine, 2-thiomorpholin-4-ylethanamine, 4-Thiomorpholineethanamine, 2-thiomorpholinoethanamine 2HCl, AC1MCMLI, 4-thiomorpholinethanamine, ACMC-1B1LC, 2-thiomorpholin-4-ylethylamine, C6H14N2S, SCHEMBL2215013, 2-(4-Thiomorpholinyl)ethanamine, CTK1H1178, DTXSID90378280, 2-(thiomorpholin-4-yl)ethanamine, ZMBVBAVBXVSHER-UHFFFAOYSA-N, (3-AMINOETHYL)THIOMORPHOLINE, ANW-31788, MFCD02179434, ZINC19850640, AKOS009159287, AB11122, VZ27666, AJ-75378, AB0000242, DB-052351, ST2417180, TR-018935, FT-0640167, V6473, EN300-75438, B-8195, A829647, I09-2163, CID2773200,

Complexity	71.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.088g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.252g/mol
Monoisotopic Mass	146.088g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.6A^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	H314-H318
Packing Group	Ⅲ
Precautionary statements	P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
UN Code	UN 2735

Certificate of Analysis

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