AG000QOA

126-11-4 | 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-

AG000QOA

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CAS Number	126-11-4
Catalog Number	AG000QOA(AGN-PC-00FS5D)
Chemical Name	1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-
EC Number	204-769-5
IUPAC Name	2-(hydroxymethyl)-2-nitropropane-1,3-diol
InChI	InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2
InChI Key	OLQJQHSAWMFDJE-UHFFFAOYSA-N
MDL Number	MFCD11707247
Molecular Formula	C4H9NO5
Molecular Weight	151.1180
SMILES	O=[N+](C(CO)(CO)CO)[O-]
UNII	3E794G4ZRB
Synonyms	2-(hydroxymethyl)-2-nitro-1,3-propanediol, Tris Nitro, Tris(hydroxymethyl)nitromethane, 126-11-4, 2-(Hydroxymethyl)-2-nitropropane-1,3-diol, 2-(Hydroxymethyl)-2-nitro-1,3-propanediol, Cimcool wafers, Tris nitro, Trimethylolnitromethane, Isobutylglycerol, nitro-, Nitroisobutylglycerol, 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, Methane, trimethylolnitro-, Trihydroxymethylnitromethane, Nitrotris(hydroxymethyl)methane, 2-(Hydroxymethyl)-2-nitropropanediol, Caswell No. 495, 1,1,1-Tris(hydroxymethyl)nitromethane, Nitromethylidynetrimethanol, 2-Nitro-2-(hydroxymethyl)-1,3-propanediol, UNII-3E794G4ZRB, NSC 17675, 2-HYDROXYMETHYL-2-NITRO-1,3-PROPANEDIOL, 2-Hydroxymethyl-2-nitropropane-1,3-diol, HSDB 6810, EINECS 204-769-5, MFCD00007395, EPA Pesticide Chemical Code 083902, AI3-02259, 3E794G4ZRB, tris(hydroxymrthyl) nitromemethane, OLQJQHSAWMFDJE-UHFFFAOYSA-N, 2-(Hydroxymethyl)-2 nitro-1,3-propanediol, DSSTox_CID_7034, 2-(hydroxymethyl)-2-nitro-propane-1,3-diol, WLN: WNX1Q1Q1Q, DSSTox_RID_78284, DSSTox_GSID_27034, 1, 2-(hydroxymethyl)-2-nitro-, 1,1-Tris(hydroxymethyl)nitromethane, CAS-126-11-4, C4H9NO5, Nitrotrimethylolmethane, ACMC-1BUIG, AC1L1LFE, trishydroxymethylnitromethane, SCHEMBL22312, KSC176A3N, tris(hydroxymethyl) nitromethane, Jsp001671, CHEMBL1895497, DTXSID8027034, CTK0H6036, EBD4933, NSC2344, KS-00000WY7, NSC-2344, NSC17675, ZINC1640851, Tox21_200441, Tox21_300295, ANW-18580, NSC-17675, Tris(hydroxymethyl)nitromethane, 98%, AKOS000278326, S.S.T sump saver tablets (Salt/Mix), MCULE-8637892145, NE10485, TRA0034892, NCGC00164036-01, NCGC00164036-02, NCGC00164036-03, NCGC00254029-01, NCGC00257995-01, 2-(hydroxymethyl)-2-nitro-3-propanediol, AJ-28580, AN-22971, AS-17516, CJ-26432, SC-62273, SY062183, DB-041809, LS-120502, RT-001176, TL8000661, 3-propanediol,2-(hydroxymethyl)-2-nitro-1, FT-0608817, ST24027631, ST51037689, V0537, 1,3-propanediol,2-(hydroxymethyl)-2-nitro-, 2-(Hydroxymethyl)-2-nitro- 1,3-propanediol, EN300-17934, MFCD00007395 (98%), A805508, R601737, I14-0991, J-005330, J-525136, 2-Hydroxymethyl-2-Nitro-1,3-Propanediol (Tris(hydr, Z57124105, F0001-0384, C4-H9-N-O5, CID31337, H0271, Tris(hydroxymethyl)nitromethane, 98% - 5G 5g, PROPANE-1,3-DIOL, 2-HYDROXYMETHYL-2-NITRO-, 2-hydroxymethyl-2-nitro-1,3-propanediol(tris(hydroxymethyl)nitromethane), 10314-98-4,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.048g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	151.118g/mol
Monoisotopic Mass	151.048g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number