기본 정보
- CAS
112-65-2- 표준 SMILES
CCCCCCCCCCCCN=C(N)N- InChIKey
HILAYQUKKYWPJW-UHFFFAOYSA-N- 분자식
- C13H29N3
- 평균 분자량
- 227.39 g/mol
- 단동위원소 질량
- 227.23614794
개요
1-dodecylguanidine is a member of the class of guanidines that is guanidine in which one of the amino groups is substituted by a dodecyl group. It is used (generally as its acetate salt, known as dodine) as a agrochemical fungicide. It has a role as an antibacterial agent and an antifungal agrochemical. It is a member of guanidines and an aliphatic nitrogen antifungal agent. It contains a dodecyl group and a guanidino group. It is a conjugate base of a 1-dodecylguanidine(1+).
이름 및 식별자
- 우선 이름
- Guanidine, dodecyl-
- IUPAC
- 2-dodecylguanidine
- 영어명
- Dodecylguanidine
- 분자식
- C13H29N3
- 분자량
- 227.39
이름 및 동의어
Guanidine, dodecyl-RefChem:782807DODECYLGUANIDINE1-dodecylguanidine112-65-22-dodecylguanidineGuanidine, N-dodecyl-n-dodecylguanidineGuanidine,dodecyl-laurylguanidineVerichem N 2000DODINE FREE BASE
이름 더 보기
UNII-RNB1NU2RGG1-laurylguanidineaminododecylcarboxamidineSCHEMBL21643SCHEMBL21644CHEMBL74474DTXSID8041907CHEBI:74880
데이터베이스 식별자
- CAS
112-65-2、2439-10-3- PubChem CID
- 8204
- DTXSID
DTXSID8041907- ChEMBL
CHEMBL74474- ChEBI
CHEBI:74880- UNII
- RNB1NU2RGG
- Nikkaji
- J56.150I
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 64.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 163
실험 및 물리화학적 성질
Pesticides
Fungicides
Environmental transformation -> Pesticides (parent, predecessor)
Collision Cross Section175.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3020548]
물리화학적 성질
- EPA
- Dodecylguanidine (112-65-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: Guanidine, dodecyl-
Guanidine, dodecyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
화학 및 산업
용도 및 제조
Use Classification
Fungicides
Environmental transformation -> Pesticides (parent, predecessor)
공급사2 곳
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
추가 설명
정의ChEBI: A member of the class of guanidines that is guanidine in which one of the amino groups is substituted by a dodecyl group. It is used (generally as its acetate salt, known as dodine) as a agrochemical fungicide.
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