AG003SJZ

4079-68-9 | N,N-Diethylpropargylamine

AG003SJZ

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CAS Number	4079-68-9
Catalog Number	AG003SJZ(AGN-PC-0JKF0X)
Chemical Name	N,N-Diethylpropargylamine
EC Number	223-804-5
IUPAC Name	N,N-diethylprop-2-yn-1-amine
InChI	InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3
InChI Key	JZJXKEWVUBVOEH-UHFFFAOYSA-N
MDL Number	MFCD00039881
Molecular Formula	C7H13N
Molecular Weight	111.1848
NSC Number	63868
SMILES	C(C)N(CC)CC#C
Synonyms	4079-68-9, 1-Diethylamino-2-propyne, N,N-Diethylpropargylamine, Diethylpropargylamine, 2-Propyn-1-amine, N,N-diethyl-, N,N-diethylprop-2-yn-1-amine, N,N-Diethyl-2-propynylamine, 3-(Diethylamino)propyne, 3-Diethylamino-1-propyne, 3-(N,N-Diethylamino)propyne, 1-N,N-Diethylamino-2-propyne, 2-PROPYNYLAMINE, N,N-DIETHYL-, NSC 63868, EINECS 223-804-5, diethyl-prop-2-ynyl-amine, BRN 1098468, JZJXKEWVUBVOEH-UHFFFAOYSA-N, MFCD00039881, N,N-Diethylpropargylamine, 97%, NSC63868, ACMC-1AGRD, 1-Diethylaminopropyne-2, AC1L2FCE, N,N-diethyl propargylamine, 2-Propynylamine,N-diethyl-, NCIOpen2_000253, 4-04-00-01136 (Beilstein Handbook Reference), SCHEMBL169244, 2-Propyn-1-amine,N-diethyl-, DTXSID5063287, WLN: 2N2&2UU1, CTK4I3790, 2-Propyn-1-amine,N,N-diethyl-, N, N-diethylprop-2-yn-1-amine, N,N-diethyl-N-(2-propynyl)amine, N,N-Diethyl-2-propyn-1-amine #, NSC-63868, ZINC19798468, AKOS009027472, TRA0068150, AN-18826, AS-31060, CJ-16387, DB-049659, LS-125798, TC-171904, FT-0613816, I14-4757, N,N-Diethylpropargylamine, for protein sequence analysis, >=99.0% (GC), Propargyldiethylamine, 2-Propyn-1-amine, N ,N -diethyl-, C7-H13-N, CID20010, DEP,

Complexity	83.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.105g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	111.188g/mol
Monoisotopic Mass	111.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	3.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(8)
Hazard statements	H225-H302-H311-H314-H318-H332
Packing Group	Ⅱ
Precautionary statements	P210-P260h-P303+P361+P353-P305+P351+P338-P405-P501a
UN Code	UN 2733

Certificate of Analysis

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