AG003T8X

1116-54-7 | N-​Nitrosodiethanolamin​e

AG003T8X

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CAS Number	1116-54-7
Catalog Number	AG003T8X(AGN-PC-07Y4T1)
Chemical Name	N-​Nitrosodiethanolamin​e
EC Number	214-237-4
IUPAC Name	N,N-bis(2-hydroxyethyl)nitrous amide
InChI	InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2
InChI Key	YFCDLVPYFMHRQZ-UHFFFAOYSA-N
MDL Number	MFCD00015522
Molecular Formula	C4H10N2O3
Molecular Weight	134.1338
SMILES	N(CCO)(CCO)N=O
UNII	30YI1289VY
Synonyms	diethanolnitrosamine, N-nitrosodiethanolamine, N-NITROSODIETHANOLAMINE, Diethanolnitrosamine, 1116-54-7, Ndela, Diethanolnitrosoamine, Nitrosodiethanolamine, Nitrosoimino diethanol, N-Nitrosoaminodiethanol, N,N-Diethanolnitrosamine, 2,2'-(Nitrosoimino)bisethanol, Diaethanolnitrosamin, RCRA waste number U173, Ethanol, N-nitrosoiminodi-, Ethanol, 2,2'-(nitrosoimino)bis-, N-Nitrosodiaethanolamin, Ethanol, 2,2'-nitrosiminodi-, 2,2'-Iminodi-N-nitrosoethanol, N-Nitrosobis(2-hydroxyethyl)amine, NCI-C55583, N,N-bis(2-hydroxyethyl)nitrous amide, CCRIS 463, Diaethanolnitrosamin [German], UNII-30YI1289VY, Diethylamine, 2,2'-dihydroxy-N-nitroso-, Bis(beta-hydroxyethyl)nitrosamine, Di-(2-hydroxyethyl)-nitrosamine, N-Nitrosodiaethanolamin [German], HSDB 4180, EINECS 214-237-4, RCRA waste no. U173, BRN 1762620, 2,2'-(nitrosoimino)diethanol, Bis(beta-hydroxyaethyl)nitrosamin [German], CHEBI:82357, 30YI1289VY, W-109638, Bis(beta-hydroxyaethyl)nitrosamin, Nitrosoiminodiethanol, Dietha nolnitrosamine, N-nitrosoiminodiethanol, n-nitroso-diethanolamine, DSSTox_CID_1027, 2,2'-nitrosiminodiethanol, AC1L23DH, CHEMBL1334, DSSTox_RID_75912, DSSTox_GSID_21027, 3-04-00-00721 (Beilstein Handbook Reference), N-NITROSODOETHANOLAMINE, Bi(2-hydroxyethyl)nitrosoamine, ACMC-2099a9, 2,2-(Nitrosoimino) bisethanol, SCHEMBL1288208, DTXSID7021027, 2,2'-iminodi(N-nitrosoethanol), CTK4A7452, YFCDLVPYFMHRQZ-UHFFFAOYSA-N, Ethanol,2,2'-(nitrosoimino)bis-, Bis(.beta.-hydroxyaethyl)nitrosamin, Bis(.beta.-hydroxyethyl)nitrosamine, ZINC5260521, Tox21_200283, ANW-16303, FCH918501, LS-546, MFCD00015522, N,N-bis(2-hydroxyethyl)nitrous amid, 2,2'-dihydroxy-N-nitrosodiethylamine, AKOS006228419, NCGC00091047-01, NCGC00091047-02, NCGC00257837-01, CAS-1116-54-7, N-Nitrosodiethanolamine, analytical standard, TC-105048, FT-0672944, N0438, C19278, N50012, 2,2'-(Nitrosoimino)diethanol (N-Nitrosodiethanolamine), N-Nitrodiethanolamine, N-Nitrosodithanolamine, 2,2'-(Nitrosoimmino)Bisetanolo, CID14223, C4-H10-N2-O3, Etanol, 2,2'-(nitrosoimino) bis-, BISETHANOL, 2,2'-(NITROSOIMINO)-, ETHANOL,2,2'-(NITROSOIMINO) BIS-, C014129,

Complexity	72.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	134.069g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	134.135g/mol
Monoisotopic Mass	134.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	73.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225-H350-H319
Packing Group	Ⅱ
Precautionary statements	P201-P210-P308+P313-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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