N-(4-Aminobenzoyl)-L-glutamic acid

N-(4-AMINOBENZOYL)-L-GLUTAMIC ACID · 4-AMINOBENZOYLGLUTAMIC ACID · P-AMINOBENZOYL-L-GLUTAMIC ACID · Methotrexate EP Impurity K · N-(P-AMINOBENZOYL)-L-GLUTAMIC ACID · (2S)-2-(4-Aminobenzamido)pentanedioic Acid · (2S)-2-[(4-Aminobenzoyl)amino]pentanedioic Acid · NSC 71042

https://huagongshe.com/ko/chemical/196473

N-(4-Aminobenzoyl)-L-glutamic acid 분자 구조식

식별자 및 물리적 특성

CAS No.	4271-30-1
분자식	C12H14N2O5
평균 분자량	266.25 g/mol
단동위원소 질량	266.09027155 g/mol
SMILES	Nc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
InChIKey	GADGMZDHLQLZRI-VIFPVBQESA-N
PubChem CID	196473
ChEMBL	CHEMBL3278332
ChEBI	CHEBI:61114
EC No.	224-261-7
DTXSID	DTXSID10873641

화학 및 물리적 성질

XLogP	0
극성 표면적	130
수소 결합 공여자 수	4
수소 결합 수용자 수	6
회전 가능 결합 수	6
무거운 원자 수	19
형식 전하	0
복잡도	350
녹는점	~175 °C (dec.)
끓는 점	409.45°C (rough estimate)
밀도	1.2846 (rough estimate)
굴절률	1.6660 (estimate)
저장 조건	Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도	알칼리성 용액(적게), 산성 수용액(적게), DMSO(적게)
물리적 상태	Solid
pKa(산도 계수)	3.50±0.10(Predicted)
색상	흰색에서 빛으로
Merck	14,426
BRN	2816320
안정성	흡습성
주요 응용	발각펩타이드 합성
InChI	1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1
InChIKey	GADGMZDHLQLZRI-VIFPVBQESA-N
SMILES	Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

화학적 성질

Light Tan Waxy Solid

안전 및 규제

GHS 분류	DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H334 (33.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	N-(4-Aminobenzoyl)-L-glutamic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Skin Sens. 1 (33.3%)Resp. Sens. 1 (33.3%)
수질 위해 등급(WGK)	3
관세 코드	2924296000
위험 문구(R)	36/37/38
안전 문구(S)	26-36/37/39
저장 분류	11 - Combustible Solids

용도

Major metabolite of 5-Methyltetrahydrofolic Acid