트리아세톤디아민

트리아세톤디아민 · TEMP · TAD · 4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINE · 2,2,6,6-tetramethyl-4-piperidinamin · TEMP TAD · Samsorb UV-TAD · TRIACETONEDIAMINE

https://huagongshe.com/ko/chemical/37524

식별자 및 물리적 특성

CAS No.	36768-62-4
분자식	C9H20N2
평균 분자량	156.27 g/mol
단동위원소 질량	156.16264864 g/mol
SMILES	CC1(C)CC(N)CC(C)(C)N1
InChIKey	FTVFPPFZRRKJIH-UHFFFAOYSA-N
PubChem CID	37524
ChEMBL	CHEMBL368366
EC No.	253-197-2
DTXSID	DTXSID3044388
현지명	트리아세톤디아민

화학 및 물리적 성질

XLogP	0.6
극성 표면적	38.1
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	134
Food Contact Substances	FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical Description	Liquid
Collision Cross Section	135.1 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3044388]
녹는점	16-18 °C(lit.)
끓는 점	188-189 °C(lit.)
밀도	0.912 g/mL at 25 °C(lit.)
증기압	<=20 hPa (20 °C)
굴절률	n20/D 1.470(lit.)
인화점	162 °F
저장 조건	Store below +30°C.
pKa(산도 계수)	10.83±0.10(Predicted)
물리적 상태	투명한 액체
색상	Colorless to Light orange to Yellow
비중	0.912
pH	12.3 (99g/l, H2O, 20℃)
용해도	녹는
BRN	105038
InChI	1S/C9H20N2/c1-8(2)5-7(10)6-9(3,4)11-8/h7,11H,5-6,10H2,1-4H3
InChIKey	FTVFPPFZRRKJIH-UHFFFAOYSA-N
SMILES	CC1(C)CC(N)CC(C)(C)N1
LogP(분배 계수)	0.94 at 20℃
표면장력	67.11-68.09mN/m at 1g/L and 20℃
NIST	4-Piperidinamine, 2,2,6,6-tetramethyl-(36768-62-4)
EPA	4-Piperidinamine, 2,2,6,6-tetramethyl- (36768-62-4)

화학적 성질

CLEAR SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류	DangerH290 (24.6%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 195 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Regulation (EC) No 1935/2004 (amended)4-Piperidinamine, 2,2,6,6-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Piperidinamine, 2,2,6,6-tetramethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 24-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19434-Amino-2,2,6,6-tetramethylpiperidine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Met. Corr. 1 (24.6%)
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	TM4290100
운송 번호(UN)	UN 2735 8/PG 3
독성	LD50 orally in Rabbit: 1000 mg/kg
관세 코드	29333999
위험 문구(R)	22-36/37/38-34-52/53-41
위험 표시	Xn,Xi,C
안전 문구(S)	26-36/37-45-36/37/39-61
포장분류	III
위험 등급	8Acute Tox. 4 OralAquatic Chronic 3Met. Corr. 1Skin Corr. 1C
위험 참고 사항	Irritant

용도

Triacetonediamine have been investigated as new anticancer drugs with high activity and low toxicity.