시클로햅틸아민

시클로햅틸아민 · 사이클로헵틸아민 · 시클로헵틸아민 · CYCLOHEPTANAMINE · NSC 18962 · cycoheptylamine · CYCLOHEPTYLAMINE · AKOS BBS-00003595

식별자 및 물리적 특성

CAS No.	5452-35-7
분자식	C7H15N
평균 분자량	113.2 g/mol
단동위원소 질량	113.12044948 g/mol
SMILES	NC1CCCCCC1
InChIKey	VXVVUHQULXCUPF-UHFFFAOYSA-N
PubChem CID	2899
ChEMBL	CHEMBL1171864
EC No.	226-693-1
DTXSID	DTXSID7063899
현지명	시클로햅틸아민

화학 및 물리적 성질

XLogP	2
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	8
형식 전하	0
복잡도	53
Kovats Retention Index	987.3
녹는점	-18°C
끓는 점	54 °C/11 mmHg (lit.)
밀도	0.889 g/mL at 25 °C (lit.)
굴절률	n20/D 1.472(lit.)
인화점	108 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	액체
pKa(산도 계수)	11.04±0.20(Predicted)
색상	무색투명~미황색
비중	0.887
BRN	1847543
InChI	InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
InChIKey	VXVVUHQULXCUPF-UHFFFAOYSA-N
SMILES	C1(N)CCCCCC1
EPA	Cycloheptanamine (5452-35-7)

화학적 성질

clear colourless to slightly yellow liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.DangerH226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]H314 (13%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (84.8%): Causes skin irritation [Warning Skin corrosion/irritation]H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.There are 5 notifications provided by 45 of 46 reports by companies with hazard statement code(s).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 (97.8%)Skin Corr. 1B (13%)Skin Irrit. 2 (84.8%)STOT SE 3 (87%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 2734 8/PG 2
관세 코드	29213099
위험 문구(R)	10-37/38
위험 표시	Xi
안전 문구(S)	23
포장분류	II
위험 등급	8Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
저장 분류	3 - Flammable liquids