AG00ABBN

176504-01-1 | Fmoc-4-aminomethyl-phenylacetic acid

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CAS Number	176504-01-1
Catalog Number	AG00ABBN(AGN-PC-0QAYZ2)
Chemical Name	Fmoc-4-aminomethyl-phenylacetic acid
IUPAC Name	2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid
InChI	InChI=1S/C24H21NO4/c26-23(27)13-16-9-11-17(12-10-16)14-25-24(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27)
InChI Key	SKKYGLCUQGQTNA-UHFFFAOYSA-N
MDL Number	MFCD01321022
Molecular Formula	C24H21NO4
Molecular Weight	387.4278
SMILES	O=C(O)CC1=CC=C(CNC(OCC3C2=C(C4=C3C=CC=C4)C=CC=C2)=O)C=C1
Synonyms	176504-01-1, Fmoc-4-aminomethyl-phenylacetic acid, 2-(4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)phenyl)acetic acid, 2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic Acid, AC1MBSX0, SCHEMBL525564, ZINC2379497, 5896AD, MFCD01321022, AKOS015911292, ACM176504011, AJ-34599, J-011199, I14-38405, [4-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)phenyl]acetic acid, 2-(4-((((9H-fluoren-9-yl)methoxy)carbonylamino)methyl)phenyl)acetic acid, Benzeneacetic acid,4-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-, C24H21NO4, SKKYGLCUQGQTNA-UHFFFAOYSA-N, Fmoc-(4-aminomethylphenyl)acetic acid, CID2756152,

Complexity	549
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	387.147g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	387.435g/mol
Monoisotopic Mass	387.147g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

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