AG003IUU

5678-45-5 | 3-Amino-3-(4-methoxyphenyl)propanoic acid

AG003IUU

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CAS Number	5678-45-5
Catalog Number	AG003IUU(AGN-PC-0SMEMS)
Chemical Name	3-Amino-3-(4-methoxyphenyl)propanoic acid
IUPAC Name	3-amino-3-(4-methoxyphenyl)propanoic acid
InChI	InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
InChI Key	NYTANCDDCQVQHG-UHFFFAOYSA-N
MDL Number	MFCD00187209
Molecular Formula	C10H13NO3
Molecular Weight	195.2151
SMILES	O=C(O)CC(N)C1=CC=C(OC)C=C1
Synonyms	3-amino-3-(4-methoxyphenyl)propanoic acid, 5678-45-5, 3-Amino-3-(4-methoxyphenyl)propionic acid, 3-Amino-3-(4-methoxy-phenyl)-propionic acid, dl-3-amino-3-(4-methoxy-phenyl)-propionic acid, 3-(p-methoxyphenyl)-dl-beta-alanine, NYTANCDDCQVQHG-UHFFFAOYSA-N, AK-43943, EN300-22836, Q-102264, BETA-(4-METHOXYPHENYL)-BETA-AMINOPROPIONIC ACID, (S)- 3-Amino-3-(4-methoxyphenyl)-propionic acid, (s)-3-(p-methoxyphenyl)-beta-alanine, ZERO/001586, AC1LBNRB, PubChem13902, PubChem24028, ACMC-1AKYE, Benzenepropanoic acid, b-amino-4-methoxy-, (bR)-, Benzenepropanoic acid, b-amino-4-methoxy-, (bS)-, AC1Q5VAF, ACMC-20a7x5, ACMC-20a7x6, AC1Q4A1A, TimTec1_004269, Oprea1_156707, Oprea1_765698, aminomethoxyphenylpropanoicacid, KSC496O3N, DL- -(p-Methoxyphenyl)alanine, SCHEMBL2452463, CTK3J6736, dl-beta-(p-methoxyphenyl)alanine, KS-00000AGI, DL-beta-(4-Methoxyphenyl)alanine, HMS1546C01, ACN-S002975, ACT04401, ALBB-006622, BB_NC-02135, ZX-AN006279, ZX-AT014405, ANW-48031, BBL005121, MFCD00187209, SBB001784, STK391434, AKOS000201346, AKOS016043233, AB04473, AN-9838, AS06756, BBV-096430, CM-1096, MCULE-1449619305, OR13342, RP11514, RTC-061041, TRA0063317, .beta.-Amino-p-methoxyhydrocinnamic acid, AC-23773, BAS 00122362, BR-44701, CC-14058, SC-23815, SY007346, 3-Amino-3-(4-methoxyphenyl)propionicAcid, 3-amino-3-(p-methoxyphenyl)propionic acid, AB0025559, AX8034115, DB-012380, ST2417448, ST4016354, TC-061041, 3-amino-3-(4'-methoxyphenyl)propionic acid, 3-amino-3-(4-methoxyphenyl)-propionic acid, 4CH-023889, BB 0249704, EU-0066634, FT-0630096, W7043, 3-amino-3-(4'-methoxyphenyl) propionic acid, MFCD00187209 (97%), 3-Amino-3-(4-methoxy-phenyl)-propionic acid, S-3468, BETA-AMINO-4-METHOXYBENZENEPROPANOIC ACID, 3-Amino-3-(4-methoxyphenyl)propionic acid, 97%, 678A455, 7R-0624, C-28388, SR-01000597124, I01-2257, I01-7427, J-511578, SR-01000597124-1, Z166605432, (RS)-BETA-AMINO-BETA-(4-METHOXYPHENYL)PROPIONIC ACID, C10H13NO3, (S)-beta-(p-methoxyphenyl)alanine, -3-AMINO-3- -PROPIONICACID, AR-1F1749, CID585889, (S)-3-amino-3-(4-methoxyphenyl)propanoic acid, 131690-56-7, ACN-001811, 3-Amino-3-(4-methoxy-phenyl)-propionicacid, A2532, (R)-3-amino-3-(4-methoxyphenyl)propanoic acid, (s)-3-amino-3-(4-methoxyphenyl)propionic acid, 131690-57-8, 5721-12-0, N-cyclopropyl-1-{[1-methyl-5-(pyrrolidin-1-ylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxamide, N/A,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.218g/mol
Monoisotopic Mass	195.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number