1-Isopropylpiperazine

Piperazine, 1-isopropyl- · IFLAB-BB F1929-1669 · ISOPROPYLPIPERAZINE · TIMTEC-BB SBB004236 · RARECHEM AH CK 0183 · 1-Isopropylpyrazine · N-Isopropypiperazine · 1-ISOPROPYLPIPERAZINE

https://huagongshe.com/ko/chemical/78013

식별자 및 물리적 특성

CAS No.	4318-42-7
분자식	C7H16N2
평균 분자량	128.22 g/mol
단동위원소 질량	128.13134852 g/mol
SMILES	CC(C)N1CCNCC1
InChIKey	WHKWMTXTYKVFLK-UHFFFAOYSA-N
PubChem CID	78013
ChEMBL	CHEMBL1740581
EC No.	224-345-3
DTXSID	DTXSID40195762

화학 및 물리적 성질

XLogP	0.4
극성 표면적	15.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	9
형식 전하	0
복잡도	75
끓는 점	180-181 °C (lit.)
밀도	0,896 g/cm3
굴절률	n20/D 1.4710(lit.)
인화점	130 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	액체
pKa(산도 계수)	9.23±0.10(Predicted)
비중	0.896
색상	맑은 연한 노란색
용해도	물에 약간 용해됩니다.
InChI	InChI=1S/C7H16N2/c1-7(2)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
InChIKey	WHKWMTXTYKVFLK-UHFFFAOYSA-N
SMILES	N1(C(C)C)CCNCC1

화학적 성질

Clear pale yellow liquid

안전 및 규제

위험 등급
GHS 분류	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H311 (89.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (89.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 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.
Hazard Classes and Categories	Flam. Liq. 3 (100%)Acute Tox. 3 (89.4%)Acute Tox. 4 (10.6%)Skin Irrit. 2 (91.5%)Eye Irrit. 2 (89.4%)STOT SE 3 (89.4%)
수질 위해 등급(WGK)	3
RTECS 번호	TM0860000
운송 번호(UN)	UN 1992 3/PG 3
관세 코드	29339900
위험 문구(R)	10-21-36/37/38
위험 표시	Xn,F,C,Xi
안전 문구(S)	16-26-36
포장분류	III

용도

1-Isopropylpiperazine is used as pharmaceutical intermediate.