AG003JYD

51980-54-2 | 4-Pyrrolidinobenzaldehyde

AG003JYD

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CAS Number	51980-54-2
Catalog Number	AG003JYD(AGN-PC-0JLE3A)
Chemical Name	4-Pyrrolidinobenzaldehyde
EC Number	257-570-0
IUPAC Name	4-pyrrolidin-1-ylbenzaldehyde
InChI	InChI=1S/C11H13NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,9H,1-2,7-8H2
InChI Key	DATXHLPRESKQJK-UHFFFAOYSA-N
MDL Number	MFCD00015469
Molecular Formula	C11H13NO
Molecular Weight	175.2270
SMILES	O=CC1=CC=C(N2CCCC2)C=C1
Synonyms	51980-54-2, 4-(1-Pyrrolidinyl)benzaldehyde, 4-(pyrrolidin-1-yl)benzaldehyde, 4-(1-Pyrrolidino)benzaldehyde, 1-(4-Formylphenyl)pyrrolidine, 4-pyrrolidin-1-ylbenzaldehyde, Benzaldehyde, 4-(1-pyrrolidinyl)-, 4-pyrrolidinobenzaldehyde, 4-Pyrrolidin-1-yl-benzaldehyde, 4-pyrrolidinylbenzaldehyde, DATXHLPRESKQJK-UHFFFAOYSA-N, MFCD00015469, 4-(1-Pyrrolidino)-benzaldehyde, EINECS 257-570-0, 4-Pyrrolizinobenzaldehyde, p-pyrrolidinylbenzaldehyde, AC1L2VZI, AC1Q6PTM, 4-Pyrrolidinnobenzaldehyde, ACMC-209kx0, AC1Q6Q6A, SCHEMBL253732, 4-(1-Pyrrolidine)benzaldehyde, DTXSID40199942, SP486, ZINC309037, ACN-S003068, ACT08006, ALBB-026317, KS-00000AY1, STR02263, ANW-31378, BBL023457, SBB007141, STK188195, 4-(1-Pyrrolidino)benzaldehyde, 97%, AKOS000113310, AC-2819, CS-W017443, MCULE-5992724455, PS-3693, RP02919, RTR-018496, VZ27635, AJ-19140, AN-13557, CJ-02704, FS000037, SC-27079, SY003050, ZB010348, AB0025252, DB-052054, TR-018496, BB 0217735, F0679, FT-0616490, ST24028835, ST45029706, W6680, EN300-39417, K-9526, MFCD00015469 (97+%), J-513854, I14-17472, 4- benzaldehyde, C11H13NO, C11-H13-N-O, AR-1G4563, CID104037, ZINC00309037, 4-(1-Pyrrolidino)benzaldehyde, 97% - 1G 1g, 53207-55-9,

Complexity	167
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 statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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