AG00396V

34841-09-3 | 3-Amino-3-(3,4-dimethoxyphenyl)propionic acid

AG00396V

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CAS Number	34841-09-3
Catalog Number	AG00396V(AGN-PC-0RA8S1)
Chemical Name	3-Amino-3-(3,4-dimethoxyphenyl)propionic acid
IUPAC Name	3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
InChI	InChI=1S/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)
InChI Key	FGCXSFRGPCUBPW-UHFFFAOYSA-N
MDL Number	MFCD00735172
Molecular Formula	C11H15NO4
Molecular Weight	225.2411
SMILES	NC(CC(=O)O)C1=CC(=C(C=C1)OC)OC
Synonyms	3-amino-3-(3,4-dimethoxyphenyl)propanoic acid, 34841-09-3, 3-Amino-3-(3,4-dimethoxyphenyl)propionic acid, 3-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid, 34840-85-2, 696641-73-3, DL-BETA-(3,4-DIMETHOXYPHENYL)ALANINE, FGCXSFRGPCUBPW-UHFFFAOYSA-N, 3-amino-3-(3,4-dimethoxy-phenyl)propionic acid, MFCD00735172, AK-45959, 3-(3,4-DIMETHOXYPHENYL)-DL-BETA-ALANINE, AG-205/40088415, Q-102260, DL-3-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid, ZERO/001614, PubChem14766, ACMC-1AJGS, AC1LC9V7, 3-Amino-3-(3,4-dimethoxy-phenyl)-propionicacid, Oprea1_306666, Oprea1_623871, DL-3-Amino-3-(3,4-dimethoxyphenyl)propionic acid, KSC222C3L, aminodimethoxyphenylpropanoicacid, SCHEMBL2991798, CTK1C2135, KS-00001ZSZ, ACT04406, ALBB-007472, BB_NC-00841, KS-000000ML, ZX-AN006994, ZX-AT021756, ANW-74895, BBL005122, SBB000651, STK396906, AKOS000116454, AKOS016043241, 3-(3,4-Dimethoxyphenyl)-beta-alanine, AB07008, CD-1231, MCULE-1040749452, OR13345, RP12998, RTC-061040, ACM34841093, 3-(3,4-Dimethoxyphenyl)-beta-alanine #, AC-23775, BAS 01906516, ST018438, SY033673, beta-Amino-3,4-dimethoxyhydrocinnamic acid, AB0030862, AX8083894, DB-031729, ST2404874, TC-061040, A6114, FT-0630330, FT-0687322, R3734, X3123, beta-Amino-3,4-dimethoxybenzenepropanoic acid, MFCD00735172 (97%), 3-amino-3-(3,4-dimethoxyphenyl) propanoic acid, 3-azanyl-3-(3,4-dimethoxyphenyl)propanoic acid, 3-amino-3-(3',4'-dimethoxyphenyl)propionic acid, 3-amino-3-(3, 4-dimethoxyphenyl) propanoic acid, 7R-0605, 841A093, A822430, SR-01000509532, I01-7426, I01-8267, J-019779, Propanoic acid, 3-amino-3-(3,4-dimethoxyphenyl)-, SR-01000509532-1, 3-Amino-3-(3,4-dimethoxyphenyl)propionic acid, 97%, Z56895737, 3-AMINO-3-(3,4-DIMETHOXYPHENYL)PROPIONOIC ACID, C11H15NO4, CID597182, A2536, (r)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid, (s)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid, 3-Amino-3-(3,4-dimethoxyphenyl)propionic acid, 98% - 1G 1g, 54160-63-3,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.1g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	225.244g/mol
Monoisotopic Mass	225.1g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	81.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2.4

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