AG003HZQ

857283-89-7 | 3-(pyrrolidin-1-yl)benzaldehyde

AG003HZQ

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CAS Number	857283-89-7
Catalog Number	AG003HZQ(AGN-PC-0LX68J)
Chemical Name	3-(pyrrolidin-1-yl)benzaldehyde
IUPAC Name	3-pyrrolidin-1-ylbenzaldehyde
InChI	InChI=1S/C11H13NO/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-12/h3-5,8-9H,1-2,6-7H2
InChI Key	KELYFFMWYRNGTF-UHFFFAOYSA-N
MDL Number	MFCD07772825
Molecular Formula	C11H13NO
Molecular Weight	175.2270
SMILES	O=CC1=CC=CC(N2CCCC2)=C1
Synonyms	857283-89-7, 3-Pyrrolidin-1-ylbenzaldehyde, 3-(Pyrrolidin-1-yl)benzaldehyde, 3-(1-pyrrolidinyl)benzaldehyde, Benzaldehyde,3-(1-pyrrolidinyl)-, 3-pyrrolidinylbenzaldehyde, AC1OGC39, SCHEMBL1443579, KS-00000AXY, DTXSID30428192, KELYFFMWYRNGTF-UHFFFAOYSA-N, ZINC4277366, ANW-44086, KM2353, MFCD07772825, SBB089067, AKOS002391967, AC-2817, RP02922, VZ27246, AJ-50107, AN-13555, AS-31264, CJ-11818, SY003047, DB-056880, TC-132831, FT-0644962, ST24028360, Y4312, MFCD07772825 (97+%), A841432, J-510967, I01-10029, C11H13NO, ZINC04277366, CID7164600,

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	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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