D-Proline

Proline · D-PRO · H-D-PRO-OH · D-Pro-OH · (R)-PYRROLIDINE-2-CARBOXYLIC ACID · (2R)-Pyrrolidine-2-carboxylic acid · D-PYRROLIDINE-2-CARBOXYLIC ACID · D-PyrroL

https://huagongshe.com/ko/chemical/8988

식별자 및 물리적 특성

CAS No.	344-25-2
분자식	C5H9NO2
평균 분자량	115.13 g/mol
단동위원소 질량	115.06332853 g/mol
SMILES	O=C(O)[C@H]1CCCN1
InChIKey	ONIBWKKTOPOVIA-SCSAIBSYSA-N
PubChem CID	8988
ChEMBL	CHEMBL80257
ChEBI	CHEBI:16313
EC No.	206-452-7
DTXSID	DTXSID70883367

화학 및 물리적 성질

XLogP	-2.5
극성 표면적	49.3
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	8
형식 전하	0
복잡도	103
의약품	Pharmaceuticals -> Listed in ZINC15
녹는점	221 °C223 °C (dec.) (lit.)
Physical Description	Solid
Collision Cross Section	122.49 Å² [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]
끓는 점	215.41°C (rough estimate)
밀도	1.36
굴절률	85 ° (C=4, H2O)
저장 조건	Inert atmosphere,Room Temperature
용해도	메탄올(약간), 물(적당)에 용해됨
물리적 상태	가루
pKa(산도 계수)	1.952(at 25℃)
색상	흰색에서 노란색, 연한 갈색까지
용해도	용해성 >1000g/L(20°C)
BRN	80811
InChI	1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
InChIKey	ONIBWKKTOPOVIA-SCSAIBSYSA-N
SMILES	OC(=O)[C@H]1CCCN1
LogP(분배 계수)	-0.060 (est)
EPA	D-Proline (344-25-2)

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 85.7% (12 of 14) of all reports.WarningH315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 14 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 01-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23252
Hazard Classes and Categories	Skin Irrit. 2 (14.3%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29339990
위험 문구(R)	22-36/37/38
위험 표시	Xi,Xn
안전 문구(S)	22-24/25-36/37/39-26
F 고인화성물질	3-10
위험 참고 사항	Irritant
저장 분류	11 - Combustible Solids

용도

출처

D-proline is an isomer of the naturally occurring amino acid, L-Proline. D-amino acids have been found in relatively high abundance in human plasma and saliva. These amino acids may be of bacterial origin, but there is also evidence that they are endogenously produced through amino acid racemase activity.

용도

Labelled D-Proline Lasubine II and (+)-Cermizine C.