AG003EPV

58028-74-3 | 2-Pyrrolidinobenzaldehyde

AG003EPV

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CAS Number	58028-74-3
Catalog Number	AG003EPV(AGN-PC-0KC7MQ)
Chemical Name	2-Pyrrolidinobenzaldehyde
IUPAC Name	2-pyrrolidin-1-ylbenzaldehyde
InChI	InChI=1S/C11H13NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-6,9H,3-4,7-8H2
InChI Key	QJHUKBIDTDKVSL-UHFFFAOYSA-N
MDL Number	MFCD03419322
Molecular Formula	C11H13NO
Molecular Weight	175.2270
SMILES	O=CC1=CC=CC=C1N2CCCC2
Synonyms	58028-74-3, 2-pyrrolidin-1-ylbenzaldehyde, 2-(Pyrrolidin-1-yl)benzaldehyde, 2-Pyrrolidin-1-yl-benzaldehyde, 2-(1-pyrrolidinyl)benzaldehyde, 2-Pyrrolidinobenzaldehyde, Benzaldehyde, 2-(1-pyrrolidinyl)-, 2-pyrrolidinylbenzaldehyde, BAS 10156458, 2-Pyrrolizinobenzaldehyde, AC1M1XAO, AC1Q6PVB, ACMC-1B13J, SCHEMBL3220834, KS-00000AXZ, DTXSID50366547, QJHUKBIDTDKVSL-UHFFFAOYSA-N, Benzaldehyde,2-(1-pyrrolidinyl)-, ZINC2643975, ANW-32864, KM0162, MFCD03419322, SBB010579, AKOS000303163, AC-2818, MCULE-9585237373, PS-6244, RP02921, TRA0051579, VZ25192, AJ-44087, AN-13556, CJ-10518, SC-27957, SY003049, DB-006216, TR-044304, 4CH-004093, FT-0082046, FT-0600818, ST50289656, Y9532, EN300-07351, MFCD03419322 (95%), A831706, J-506591, I14-55744, C11H13NO, CID2106885,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.1g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	175.231g/mol
Monoisotopic Mass	175.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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