펜타에틸렌헥사민
Pentaethylenehexamine
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기본 정보
- CAS
4067-16-7- 표준 SMILES
NCCNCCNCCNCCNCCN- InChIKey
LSHROXHEILXKHM-UHFFFAOYSA-N- 분자식
- C10H28N6
- 평균 분자량
- 232.37 g/mol
- 단동위원소 질량
- 232.2375449
개요
Yellowish liquid with an odor of ammonia. (USCG, 1999)
이름 및 식별자
- 우선 이름
- Pentaethylenehexamine
- IUPAC
- N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
- 현지명
- 펜타에틸렌헥사민
- 영어명
- PENTAETHYLENEHEXAMINE
- 분자식
- C10H28N6
- 분자량
- 232.37
이름 및 동의어
PENTAETHYLENEHEXAMINE4067-16-7PEHA3,6,9,12-Tetraazatetradecane-1,14-diamine3,6,9,12-Tetraazatetradecamethylenediamine9K5VZU43LE1,4,7,10,13,16-hexaazahexadecaneDTXSID7025843PENTAENRefChem:171361DTXCID505843223-775-9
이름 더 보기
펜타에틸렌헥사민펜타에틸렌헥사민(PENTAETHYLENEHEXAMINE)PENTAETHYLENEHEXAMINbis(N2-(2-aminoethyl)PentaethylenehexamidePentaethylenehexaMine PENTAETHYLENEHEXAMINE, TECH.Pentaethylenehexamine mixturePentaethylenehexamine (so called)PENTAETHYLENEHEXAMINE FOR SYNTHESIS
N1,N1'-(Ethane-1,2-diyl)bis(N2-(2-aminoethyl)ethane-1,2-diamine)CCRIS 6264UNII-9K5VZU43LEEINECS 223-775-9BRN 1768042N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamineEC 223-775-94-04-00-01245 (Beilstein Handbook Reference)
데이터베이스 식별자
- CAS
4067-16-7- PubChem CID
- 19990
- DTXSID
DTXSID7025843- ChEMBL
CHEMBL65184- UNII
- 9K5VZU43LE
- EC Number
- 223-775-9
- Nikkaji
- J13.726J
물성
구조 계산 물성보충 중
- XLogP
- -3.4
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 108
실험 및 물리화학적 성질
Density1 at 68 °F (USCG, 1999)
Solubilitygreater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
Flash Pointgreater than 200 °F (NTP, 1992)
Boiling Point662 to 734 °F at 760 mmHg (USCG, 1999)
Physical Description
Yellowish liquid with an odor of ammonia. (USCG, 1999)
Liquid
Collision Cross Section160.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7025843]
Autoignition Temperature680 °F (USCG, 1999)
물리화학적 성질
- 녹는점
- -35 °C · -35 °C
- 끓는 점
- 380 °C · 380 °C
- 밀도
- 0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
- 증기압
- 1 hPa · <1 hPa (20 °C)
- 굴절률
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Danger
H302 (63.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 3,6,9,12-Tetraazatetradecane-1,14-diamine
3,6,9,12-Tetraazatetradecane-1,14-diamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3,6,9,12-Tetraazatetradecane-1,14-diamine 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)
Pentaethylenehexamine: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire HazardsSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as amine vapors, nitrogen oxides, and carbon monoxide, may be formed when involved in fire.
Health Hazards
Contact with eyes can cause slight to moderate irritation and possible burns. May cause transient fogging of the eyes as a result of corneal edema, which is reversible. May cause moderate skin irritation or allergic skin reaction with symptoms of redness, itching, swelling, or rash. Vapors may irritate the eyes, nose, throat, and respiratory tract. May cause coughing, headache, nausea and vomiting. If swallowed, may cause nausea, vomiting and abdominal pain. May cause burns of the mouth, throat, esophagus, and stomach. (USCG, 1999)
화학 및 산업
용도 및 제조
U.S. Production2023: 2,500,000 - <4,000,000 lb
Industry UsesFuel agents
General Manufacturing Information
Asphalt Paving, Roofing, and Coating Materials Manufacturing
3,6,9,12-Tetraazatetradecane-1,14-diamine: ACTIVE
응용 분야
용도5.Pentaethylenehexamine has been used in the preparation of:polyisobutylene succinimide (PIBSI) dispersants, used as engine oil-additivespoly(glycidyl methacrylate) (P(GMA)) homopolymerspoly(amidoamine)s
일반 설명Yellowish liquid with an odor of ammonia.
관련 반응
5건
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