CAS 110-95-2 N,N,N',N'-Tetramethyl-1,3-diaminopropane (HCID 8084)

기본 정보

CAS: 110-95-2
표준 SMILES: CN(C)CCCN(C)C
InChIKey: DMQSHEKGGUOYJS-UHFFFAOYSA-N
분자식: C7H18N2
평균 분자량: 130.23 g/mol
단동위원소 질량: 130.14699858

이름 및 식별자

우선 이름: N,N,N',N'-Tetramethyl-1,3-diaminopropane
IUPAC: N,N,N',N'-tetramethylpropane-1,3-diamine
현지명: 테트라메틸-1,3-디아미노프로판
영어명: Tetramethyl-1,3-diaminopropane
분자식: C7H18N2
분자량: 130.23

이름 및 동의어

110-95-2N,N,N',N'-Tetramethyl-1,3-propanediamine1,3-Bis(dimethylamino)propaneN,N,N',N'-Tetramethyl-1,3-diaminopropaneN,N,N',N'-Tetramethyltrimethylenediamine1,3-PROPANEDIAMINE, N,N,N',N'-TETRAMETHYL-TetramethyltrimethylenediamineBis((dimethylamino)methyl)methaneBis[(dimethylamino)methyl]methaneDTXSID9047469BRN 1734176EINECS 203-818-8

이름 더 보기

N,N,N',N'-테트라메틸트리메틸렌디아민테트라메틸-1,3-디아미노프로판TMDAPTMPDAN1,N1,N3,N3-tetramethylpropane-1,3-diamineN,N,N',N'-TETRAMETHYLPROPANE-1,3-DIAMINETMDAPATOFINA TMPDAFentacat TMPDAFENTAMINE TMPDA(CH3)2N(CH2)3N(CH3)2N,N,N',N'-Tetramethyl-1

tetramethyl-1,3-propanediamine73B9I6HN5RtetramethylpropylenediamineDTXCID70274692,6-dimethyl-2,6-diazaheptaneEC 203-818-81,3-Propanediamine, N1,N1,N3,N3-tetramethyl-n,n,n',n'-tetramethylpropanediamine

데이터베이스 식별자

CAS: 110-95-2
PubChem CID: 8084
DTXSID: DTXSID9047469
ChEMBL: CHEMBL177250
UNII: 73B9I6HN5R
EC Number: 203-818-8
Nikkaji: J91.240I

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 6.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 51

실험 및 물리화학적 성질

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 28.9 °C · 28.9°C (estimate)
끓는 점: 145 · 145-146 °C(lit.)
밀도: 0.779 g/mL · 0.779 g/mL at 25 °C(lit.)
증기압: 760 mm · 760 mm Hg ( 145 °C)
굴절률: 20 · n20/D 1.4234(lit.)
인화점: 89 °F · 89 °F
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 9.88 · 9.88±0.28(Predicted)
물리적 상태: 액체
색상: 무색투명~연황색
수소이온지수(pH): 12.5 · 12.5 (100g/l, H2O, 20℃)
폭발한계: 2.9 · 2.9-22.5%(V)
BRN: 1734176 · 1734176
안정성: 안정적인. 가연성. 강한 산화제, 산, 산성 염화물, 과망간산염, 이산화탄소, 질산염, 과산화물, 아질산염, 할로겐과 호환되지 않습니다.
InChI: 1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3
InChIKey

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.6% (5 of 194) of reports.

Danger

H226 (97.4%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H310 (11.3%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H311 (28.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (57.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (97.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (58.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330 (11.3%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H331 (57.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (57.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (57.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 194 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 5 of 194 reports by companies.；There are 10 notifications provided by 189 of 194 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.

유해성 정보

Regulatory Information · 2건

Chemical: 1,3-Propanediamine, N,N,N',N'-tetramethyl-

Status: Active Update: 04-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5408；Status: Active Update: 08-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34000

화학 및 산업

용도 및 제조

UsesUsed to make fine and large scale chemicals, as a monomer in polymerization reactions, and laboratory reagent; [ExPub: ECHA REACH Registrations]

General Manufacturing Information1,3-Propanediamine, N1,N1,N3,N3-tetramethyl-: ACTIVE

응용 분야 · 2건

개요Tetramethyl-1,3-diaminopropane can be made by methylation of 1,3-diaminopropane with formaldehyde or from dimethylaminopropionitrile and dimethylamine and is an intermediate for corrosion inhibitors, textile auxiliaries, flotation agents, and emulgators. It is also employed as a catalyst for polyurethanes and as a hardener for epoxy resins.

일반 설명N,N,N′,N′-Tetramethyl-1,3-propanediamine is an acyclic tertiary amine. It shows the ability to absorb CO2 when dissolved in aqueous solution. N,N,N′,N′-Tetramethyl-1,3-propanediamine (TMPDA) may be used: As a catalyst for the Baylis-Hillman reaction of cycloalkenones. In the preparation of homodimeric asymmetric monomethine cyanine dyes during the bisquaternization process. As a ligand (L) for the preparation of dinuclear μ-carbonato-dicopper(II) species.