ChemicalBook CAS DataBase List 82717-96-2

82717-96-2

Name	N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine
CAS	82717-96-2
EINECS(EC#)	1308068-626-2
Molecular Formula	C15H21NO4
MDL Number	MFCD00209976
Molecular Weight	279.33
MOL File	82717-96-2.mol

Synonyms

1-ETHOXYLCARBONYL-3-PHENYLPROPYLALANINE ECPPA EPAL ETHOXY CARBONYL PHENYL PROPYL ALANINE N-(1-S-CARBETHOXY-3-PHENYLPROPYL)-S-ALANINE N-(1S)-ETHOXYCARBONYL-3-PHENYLPROPYL-ALANINE N-[1-(S)-(ETHOXYCARBONYL)-3-PHENYLPROPYL]-L-ALANINE N-[1-(S)-ETHOXYCARBONYL-3-PHENYLPROPYL]-(S)-ALANINE N-[(S)-1-CARBOXYETHYL]-L-HOMOPHENYLALANINE ETHYL ESTER N-[(S)-(+)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL]-L-ALANINE N-[(S)-1-ETHOXYCARBONYL-3-PHENYLPROPYL]-L-ALANINE (S)-N-(1-ETHOXYCARBONYL-3-PHENYLPROPYL)-(S)-ALANINE (S,S)-N-(1-ETHOXYCARBONYL-3-PHENYLPROPYL)ALANINE (1-ethoxycarbonyl-3-phenylpropyl)alanine benzenebutanoicacid,alpha-[(1-carboxyethyl)amino]-,monoethylester,[s-(the n-[1-()-ethoxycarbonyl-3-phenylpropyl]-()-alanine N-[1-(S)-Ethoxycarbonyl-3-phenylpropyl]-L-ananine NEPA N-[1-(S)-(ETHOXYCARBONYL)-3-PHENYLPROPYL]-L-ALANINE (ECPP-ALANINE) (S,S)-N-(Ethoxy carbonyl-3-Phenylpropyl)alanine

Chemical Properties

Appearance	White Solid
Melting point	150-152 °C(lit.)
alpha	+28° (20℃/D)(c=1, CH3OH)
Boiling point	422.1°C (rough estimate)
density	1.1083 (rough estimate)
vapor pressure	1.95hPa at 25℃
refractive index	29.5 ° (C=1, MeOH)
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
solubility	6g/l
form	Crystalline Powder
pka	2.14±0.10(Predicted)
color	White
Optical Rotation	[α]20/D +28°, c = 1 in methanol
Water Solubility	100mg/L at 25℃
Usage	Moexipril intermediate; the main metabolite of Imidapril
Detection Methods	HPLC
BRN	3619501
Major Application	peptide synthesis
InChI	1S/C15H21NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/t11-,13-/m0/s1
InChIKey	CEIWXEQZZZHLDM-AAEUAGOBSA-N
SMILES	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(O)=O
LogP	0.12 at 25℃
CAS DataBase Reference	82717-96-2(CAS DataBase Reference)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H315-H319-H335
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S37/39:Wear suitable gloves and eye/face protection . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
WGK Germany	3
REACH Registrations	Active
HS Code	29224999
Storage Class	11 - Combustible Solids

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